sodium selenite profile

disodium selenite : An inorganic sodium salt composed of sodium and selenite ions in a 2:1 ratio. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	24934
CHEMBL ID	112302
CHEBI ID	48843
MeSH ID	M0027224

Synonym
10102-18-8
disodium selenium trioxide
disodium selenite
nsc-347466
sodium selenite ,
selenious acid, disodium salt
einecs 233-267-9
natriumselenit [german]
na2630
ccris 1260
hsdb 768
selenite, disodium
selenite, sodium
natriumselenit
CHEBI:48843 ,
selenious acid disodium salt
CHEMBL112302
sodium selenite anhydrous
selenious acid, sodium salt (1:2)
nsc 347466
pleo selene
ec 233-267-9
sodium selenite [na2630] [poison]
hiw548rq3w ,
unii-hiw548rq3w
selenite sodium
cas-10102-18-8
dtxsid0032077 ,
tox21_202977
dtxcid8012077
NCGC00260523-01
dinatriumselenit
h2-o3-se.1/2na
sodium selenite [jan]
sodium selenite [green book]
sodium selenite [hsdb]
sodium selenite [mi]
sodium selenite [who-dd]
disodium selenite [inci]
sodium selenite [vandf]
sodium selenite [ep monograph]
AKOS015912461
D10530
aselend (tn)
sodium selenite (jan)
mfcd00003489
BVTBRVFYZUCAKH-UHFFFAOYSA-L
Q414626
sodium selenite,(s)
sodium selenite high purity grade 100g
sodium-selenite
10102-18-8(disodiumsalt)7782-82-3(monosodiumsalt)
disodium;selenite
aselend
sodium selenate (na2seo3)
sodium selenite (ep monograph)

Research Excerpts

Overview

Sodium selenite is a trace element essential for many physiological functions in the body.

Excerpt	Reference	Relevance
"Sodium selenite is a trace element essential for many physiological functions in the body. "	( Sodium Selenite Acts as an Otoprotectant against Neomycin-Induced Hair Cell Damage in a Zebrafish Model. Chae, SW; Chang, J; Choi, J; Im, GJ; Jung, HH; Kwon, SY; Lee, SH; Oh, KH; Park, HC; Rah, YC; Yoo, MH, 2016)	3.32

Effects

Sodium selenite (SSE) has been reported to exert anti-tumor effects in several cancer cells. It has alleviating effects on liver fibrosis. Its therapeutic molecular mechanism remains unclear.

Excerpt	Reference	Relevance
"Sodium selenite (SSE) has been reported to exert anti-tumor effects in several cancer cells. "	( Sodium selenite inhibits proliferation and metastasis through ROS-mediated NF-κB signaling in renal cell carcinoma. Hu, L; Jiang, M; Liu, X; Pang, C; Wang, J, 2022)	3.61
"Sodium selenite has alleviating effects on liver fibrosis; however, its therapeutic molecular mechanism remains unclear. "	( Hydrogen selenide, a vital metabolite of sodium selenite, uncouples the sulfilimine bond and promotes the reversal of liver fibrosis. Gao, X; Luan, D; Tang, B; Xia, D; Xu, K; Zhao, Z; Zheng, Q, 2021)	2.33
"Sodium selenite (SS) has been widely reported to induce apoptosis in various cancer cell types. "	( Sodium selenite attenuates lung adenocarcinoma progression by repressing SOX2-mediated stemness. An, J; Chen, W; Dai, J; Du, J; Gong, K; Guo, J; Miao, S; Wu, Y; Xi, S; Yang, L, 2018)	3.37
"Sodium selenite has been shown to have a protective role in experimental colitis. "	( Dextran sulfate sodium-induced acute experimental colitis in C57BL/6 mice is mitigated by selenium. Chang, B; Jiang, X; Li, Y; Lu, C; Sang, L; Sun, X; Wang, D; Yang, F; Zhu, J, 2016)	1.88
"Sodium selenite has been reported to interfere with cell growth and proliferation and to induce cell death. "	( Antiproliferative and cytotoxic effects of sodium selenite in human colon cancer cells. Brigulová, K; Cervinka, M; Králová, V; Rudolf, E, 2009)	2.06
"Sodium selenite has been used for prevention and treatment of Keshan disease and Kaschin-Beck's disease. "	( [Pharmacokinetic study of sodium selenite in low-selenium rabbits]. Cui, GA; Guo, JA; Han, J; Li, L; Wang, XY, 1990)	2.02

Actions

Sodium selenite can lower the expression levels of beta-catenin and its target cyclin D1. The proteasome-mediated degradative pathway may be involved. It was shown to inhibit the growth of NB4 cells.

Excerpt	Reference	Relevance
"Sodium selenite can lower the expression levels of beta-catenin and its target cyclin D1, during which the proteasome-mediated degradative pathway may be involved. "	( [Effects of sodium selenite on the expressions of beta-catenin and its target cyclin D1 in colorectal cancer cells HCT 116 and SW480]. Luo, H; Xu, CM; Yang, Y, 2011)	2.19
"Sodium selenite was shown to inhibit the growth of NB4 cells. "	( [Sodium selenite-induced oxidative stress and apoptosis in human acute promyelocytic leukemia NB4 cells]. Li, J; Shen, T; Zhang, ZN; Zuo, L, 2002)	2.67
"Sodium selenite could inhibit the growth and induce apoptosis of NB4 cells."	( Induction of apoptosis by sodium selenite in human acute promyelocytic leukemia NB4 cells: involvement of oxidative stress and mitochondria. Li, J; Shen, T; Xu, CM; Zhang, ZN; Zuo, L, 2003)	1.34
"Sodium selenite reversed the increase in platelet aggregation and TxB2 and caused a small but significant (p < 0.05) decrease in the glucose level."	( Effect of sodium selenite treatment on platelet aggregation of streptozotocin-induced diabetic rats. Ersöz, G; Turan, B; Yakaryilmaz, A, 2003)	1.44
"Sodium selenite might increase the antioxidative potential in human thyroid follicles in vitro and therefore diminish the apoptosis induced by TGF-beta, EGF, iodide, and even H2O2."	( Dose-related influence of sodium selenite on apoptosis in human thyroid follicles in vitro induced by iodine, EGF, TGF-beta, and H2O2. Gärtner, R; Hallfeldt, KL; Krebs, B; Lehmann, P; Rank, P, 2006)	1.36

Treatment

Sodium selenite treatment exerted a profound preventive effect on apoptotic cell death, including p-P38, p-SAPK/JNK, caspases, and PARP activity. Treatment also significantly downregulated IL17, IL22, indoleamine 2,3-dioxygenase (IDO1), and kynurenine levels.

Excerpt	Reference	Relevance
"Sodium selenite pretreatment (6 days) attenuated 3-NP-induced decrease in cell viability."	( Sodium selenite protects from 3-nitropropionic acid-induced oxidative stress in cultured primary cortical neurons. Colle, D; de Souza Brocardo, P; de Souza, V; Farina, M; Leal, RB; Lopes, MW; Santos, DB, 2019)	2.68
"Sodium selenite treated HLECs induced ER stress and activated the UPR leading to release of Ca(2+) from ER, ROS overproduction and finally HLECs death."	( Selenite cataracts: activation of endoplasmic reticulum stress and loss of Nrf2/Keap1-dependent stress protection. Bidasee, KR; Palsamy, P; Shinohara, T, 2014)	1.12
"Sodium selenite treatment revealed decrease in maternal body weight, reduction in fetal weight, length and number of viable fetuses, increased number of resorbed fetuses and post-implantation loss at the two doses tested."	( Toxicological study of sodium selenite on fetal development and DNA fragmentation in liver cells of pregnant rats. Helal, MA, 2011)	1.4
"Sodium selenite treatment also resulted in generation of ROS, which abrogated mitochondrial membrane potential (MMP) and regulated both apoptosis and autophagy."	( Induction of apoptosis and autophagy by sodium selenite in A549 human lung carcinoma cells through generation of reactive oxygen species. Chang, YC; Chi, GY; Choi, YH; Kim, GY; Kim, JH; Kim, WJ; Moon, SK; Nam, SW; Park, SH; Yoo, YH, 2012)	1.37
"Sodium selenite treatment could prevent the loss of myofibrills and reduction of myocyte diameter."	( Protective effect of selenium treatment on diabetes-induced myocardial structural alterations. Ayaz, M; Can, B; Ozdemir, S; Turan, B, 2002)	1.04
"Sodium selenite treatment could reverse the prolongation in both action potential duration and twitch duration of the diabetic rats, and also cause significant increases in the diminished amplitudes of the two K(+) currents."	( Effects of selenium on altered mechanical and electrical cardiac activities of diabetic rat. Ayaz, M; Ozdemir, S; Turan, B; Ugur, M; Vassort, G, 2004)	1.04
"Sodium selenite treatment increased rat blood glucose level and lowered plasma insulin level, significantly."	( Selenium-induced alterations in ionic currents of rat cardiomyocytes. Ayaz, M; Ozdemir, S; Turan, B; Vassort, G; Yaras, N, 2005)	1.05
"Sodium selenite treatment decreased dichlorodihydrofluorescein-reacting intracellular reactive oxygen species (ROS) (mainly peroxides and hydroxyl radicals), with no correlation to glutathione peroxidase activity."	( Selenium attenuates expression of MnSOD and uncoupling protein 2 in J774.2 macrophages: molecular mechanism for its cell-death and antiinflammatory activity. Aharoni-Simon, M; Shilo, S; Tirosh, O, )	0.85
"Sodium selenite treatment of the diabetic rats significantly restored the altered activities of glutathione-S-transferase, glucose-6-phosphate dehydrogenase, and 6-phosphogluconate dehydrogenase, which are involved in the glutathione metabolism of the heart, but slightly but significantly decreased the high blood glucose level."	( Beneficial effects of selenium on some enzymes of diabetic rat heart. Turan, B; Ulusu, NN, 2005)	1.05
"Sodium selenite treatment of the diabetic rats resulted in almost full restoration of all the parameters mentioned above. "	( Sodium selenite protects against diabetes-induced alterations in the antioxidant defense system of the liver. Ayaz, M; Aydin, HH; Celik, HA; Turan, B, )	3.02
"Sodium selenite treatment for 48 h inhibited carbachol (CCh)-induced catecholamine secretion in a concentration-dependent and non-competitive manner, while it did not affect high K+- and veratridine-induced catecholamine secretion."	( Inhibition by selenium compounds of catecholamine secretion due to inhibition of Ca2+ influx in cultured bovine adrenal chromaffin cells. Taniyama, K; Toyohira, Y; Uezono, Y; Wada, A; Yanagihara, N, 2006)	1.06
"Sodium selenite treatment exerted a profound preventive effect on apoptotic cell death, including p-P38, p-SAPK/JNK, caspases, and PARP activity, and ameliorated astrogliosis and hypomyelination, which occurs in regions of active cell death in the spinal cords of SCI rats."	( Selenium attenuates ROS-mediated apoptotic cell death of injured spinal cord through prevention of mitochondria dysfunction; in vitro and in vivo study. Kang, SK; Kim, JH; Yeo, JE, 2008)	1.07
"Treatment with sodium selenite also significantly downregulated IL17, IL22, indoleamine 2,3-dioxygenase (IDO1), and kynurenine levels."	( Sodium Selenite Modulates IDO1/Kynurenine, TLR4, NF-κB and Bcl2/Bax  Pathway and Mitigates Acetic Acid-Induced Colitis in Rat. Ala, M; Dehpour, AR; Jafari, RM; Nematian, H; Shadboorestan, A, 2022)	2.5
"Treatment with sodium selenite contributes to an increase in wheat yield by 1.5 times."	( Yield and quality of Dega white lupine grain (Lupinus Albus) and yubileynaya 80 spring wheat (Triticum Aestivum L.) depending on the application method of sodium selenite. Belopukhov, SL; Dmitrevskaia, II; Seregina, II; Trukhachev, VI; Vigilianskii, IM, 2022)	1.26
"Pretreatment with sodium selenite reduced the hyperglycemia mediated enhancement of ferroptosis."	( Selenium inhibits ferroptosis in hyperglycemic cerebral ischemia/reperfusion injury by stimulating the Hippo pathway. Guo, FY; Jing, L; Li, L; Ma, YM; Wang, M; Yang, L; Zhang, DH; Zhang, JZ, 2023)	1.23
"Treatment with sodium selenite for 7 days corrected the AgNP-caused alterations in morphological, ultrastructural, oxidative stress, caspase-3 activation and mitochondrial dynamic imbalance."	( Silver Nanoparticle Exposure Causes Pulmonary Structural Damage and Mitochondrial Dynamic Imbalance in the Rat: Protective Effects of Sodium Selenite. Bang, JJ; He, S; Jia, S; Jiang, H; Li, PA; Ma, H; Ma, W; Yan, N; Zhu, L, 2020)	1.1
"Pretreatment with sodium selenite or taurine produces significant depletion in MDA, NAG, cystatin C, nephrin and IL-6 levels in concomitant with significant elevation in serum NO level as compared to HgCl2 group."	( Nephroprotective potential of selenium and taurine against mercuric chloride induced nephropathy in rats. Agha, FE; Ahmed, HH; Selim, MM; Youness, ER, 2014)	0.73
"Treatment with sodium selenite reduced cell death, stabilized mitochondrial membrane potential and oxygen consumption rate, and prevented accumulation of ROS and activation of caspase-3."	( Silver nanoparticle exposure induced mitochondrial stress, caspase-3 activation and cell death: amelioration by sodium selenite. Bang, JJ; Jing, L; Li, PA; Ma, W; Mehta, SL; Valladares, A; Wang, Z, 2015)	0.97
"Treatment with sodium selenite lowers reactive oxygen species (ROS) production, causes a spontaneous reduction in lymphedema volume, increases the efficacy of physical therapy for lymphedema, and reduces the incidence of erysipelas infections in patients with chronic lymphedema."	( Sodium selenite and cancer related lymphedema: Biological and pharmacological effects. Dawzcynski, H; Pfister, C; Schingale, FJ, 2016)	2.22
"Treatment with sodium selenite for 48 h caused the inhibition of cell proliferation and the increase in apoptosis of SGC7901 and N87 cells."	( Sodium Selenite Inhibits Proliferation of Gastric Cancer Cells by Inducing SBP1 Expression. Gong, J; Li, L, 2016)	2.22
"Pretreatment with sodium selenite (2μg/g body weight) improved survival rates, colon shortening, body weight loss, disease activity index, and histopathological score in mice with DSS-induced colitis. "	( Dextran sulfate sodium-induced acute experimental colitis in C57BL/6 mice is mitigated by selenium. Chang, B; Jiang, X; Li, Y; Lu, C; Sang, L; Sun, X; Wang, D; Yang, F; Zhu, J, 2016)	0.77
"Pretreatment with sodium selenite showed therapeutic potential for preventing colitis in mice. "	( Dextran sulfate sodium-induced acute experimental colitis in C57BL/6 mice is mitigated by selenium. Chang, B; Jiang, X; Li, Y; Lu, C; Sang, L; Sun, X; Wang, D; Yang, F; Zhu, J, 2016)	0.77
"Rats treated with sodium selenite at the dosage of 3.28 mgkg(-1) b.wt."	( Preventive effect of a galactoglucomannan (GGM) from Dendrobium huoshanense on selenium-induced liver injury and fibrosis in rats. Lu, J; Luo, JP; Pan, LH; Wang, JH; Zha, XQ, 2012)	0.7
"Treatment with sodium selenite is well tolerated and easy to deliver. "	( Selenium in the treatment of radiation-associated secondary lymphedema. Bruns, F; Büntzel, J; DeVries, AF; Glatzel, M; Kisters, K; Micke, O; Mücke, R; Schäfer, U; Schönekaes, K, 2003)	0.67
"Treatment with sodium selenite is especially advantageous as it can be instituted immediately after surgery prior to wound healing when manual lymphatic decongestion therapy cannot be applied."	( Reduction of postoperative lymphedema after oral tumor surgery with sodium selenite. Albrecht, S; Eckelt, U; Kersting, S; Leonhardt, H; Range, U; Zimmermann, T, 2005)	0.9

Toxicity

Sodium selenite (SeL) can be toxic and mutagenic in this organism due to its ability to induce DNA double-strand breaks (DSBs) All of the selenazolidines were much less toxic to the cells than was sodium SeL or the parent selenolamines, L- or D-selenocystine.

Excerpt	Reference	Relevance
" The results suggest that DDTC may allow for increased dosages of tetraplatin by ameliorating the toxic side effects of the drug."	( Reduction of tetrachloro(dl-trans)1,2-diaminocyclohexaneplatinum(IV) (tetraplatin) toxicity by the administration of diethyldithiocarbamate (DDTC), S-2(3-aminopropylamino)ethylphosphorothioic acid (WR-2721), or sodium selenite in the Fischer 344 rat. Carfagna, PF; Chaney, SG; Chang, J; Holbrook, DJ, 1990)	0.47
" Selenite (Se4+) was more toxic than selenate (Se6+) in the in vitro system, in which embryonic mesenchymal limb bud cells differentiated into chondrocytes, as well as in the blastocyst culture system."	( Comparative embryotoxicity of selenite and selenate: uptake in murine embryonal and fetal tissues and effects on blastocysts and embryonic cells in vitro. Danielson, M; Danielsson, BR; Khayat, A; Wide, M, 1990)	0.28
" The LD50 value of selenite was about 500 microM."	( Toxicity, metabolism and absorption of selenite by isolated rat hepatocytes. Park, YC; Whanger, PD, 1995)	0.29
"Studies on the antagonism of toxicity can provide information about toxic mechanisms and suggest chemotherapeutic strategies."	( Antagonism of cadmium cytotoxicity by differentiation inducers. Shopsis, C, 1994)	0.29
"0 mg/L, toxic effects were observed for most of the measured indicators."	( Influences of fulvic acid on bioavailability and toxicity of selenite for wheat seedling and growth. Peng, A; Wang, Z; Xu, Y, )	0.13
" The tested compound seems to be less toxic than cisplatin alone, and has no effect on blood platelet activation."	( Comparative cytotoxicity of cisplatin, sodium selenite and selenium-cisplatin conjugate [(NH3)2Pt(SeO3)]; changes of blood platelet activation. Olas, B; Wachowicz, B, 1997)	0.57
" This phenomenon is registered as adverse drug reactions."	( [Effect of selenium on the side effect profile of adjuvant chemotherapy/radiotherapy in patients with breast carcinoma. Design for a clinical study]. Schumacher, K, 1999)	0.3
" In the millimolar range, selenite is toxic and slightly mutagenic for yeast."	( Identification of genes affecting selenite toxicity and resistance in Saccharomyces cerevisiae. Daignan-Fornier, B; Pinson, B; Sagot, I, 2000)	0.31
" These data suggest that pre- or coexposure to inorganic selenium may enhance the toxic effects of iAs, increasing its retention in tissues and suppressing its methylation, which may be a pathway for detoxification of iAs."	( Selenium modifies the metabolism and toxicity of arsenic in primary rat hepatocytes. Styblo, M; Thomas, DJ, 2001)	0.31
" Extradietary supplementation of selenium at the dosage of 200 micrograms per day is generally considered safe and adequate for an adult of average weight subsisting on the typical American diet."	( Nutritional selenium supplements: product types, quality, and safety. Schrauzer, GN, 2001)	0.31
" All combinations with 5 microM MMC were toxic to the cells."	( Selenite or selenomethionine interaction with methylmercury on uptake and toxicity showing a weak selenite protection: studies on cultured K-562 cells. Frisk, P; Lindh, U; Nilsson, K; Yaqob, A, 2001)	0.31
" In the pretreated or simultaneously treated selenite and 35 microM MC combinations, no inhibition of growth was seen, whereas all 50-microM MC combinations were toxic to the cells."	( Influence of selenium on mercuric chloride cellular uptake and toxicity indicating protection: studies on cultured K-562 cells. Carlsson, J; Frisk, P; Lindh, U; Nilsson, K; Yaqob, A, 2001)	0.31
"Cisplatin (c-DDP) is a widely used antineoplastic drug whose main side effect is nephrotoxicity."	( Oral administration of sodium selenite minimizes cisplatin toxicity on proximal tubules of rats. Bianchi, ML; Camargo, SM; Francescato, HD; Lavrador, MA, 2001)	0.62
" These sublines were examined here with respect to their susceptibilities to the toxic effects of selenite and compared to the toxic effects of selenite on the promyelocytic leukemia cell line HL-60 and its doxorubicin-resistant P-glycoprotein expressing variant."	( Drug-resistant human lung cancer cells are more sensitive to selenium cytotoxicity. Effects on thioredoxin reductase and glutathione reductase. Björkhem-Bergman, L; Björnstedt, M; Eriksson, LC; Jönsson, K; Lehmann, S; Olsson, JM; Paul, C, 2002)	0.31
" The LD50 for nanose se was 112."	( [Acute toxicity and bioavailability of nano red elemental selenium]. Gao, X; Zhang, J; Zhang, L, 2000)	0.31
" All of the selenazolidines were much less toxic to the cells than was sodium selenite (IC(50) approximately 17 microM) or the parent selenolamines, L- or D-selenocystine (IC(50) approximately 34 or 39 microM, respectively); OSCA was less toxic than MSCA."	( Characteristics of selenazolidine prodrugs of selenocysteine: toxicity and glutathione peroxidase induction in V79 cells. Cassidy, PB; Li, L; Roberts, JC; Short, MD; Xie, Y, 2003)	0.55
"Tellurite (TeO3(2-)) is highly toxic to most microorganisms."	( Glutathione is a target in tellurite toxicity and is protected by tellurite resistance determinants in Escherichia coli. Aharonowitz, Y; Taylor, DE; Turner, RJ; Weiner, JH, 2001)	0.31
" In conclusion, Nano-Se is less toxic than selenite and high-selenium protein in the 13-week rat study."	( A subchronic toxicity study of elemental Nano-Se in Sprague-Dawley rats. Chen, J; Jia, X; Li, N, 2005)	0.33
" Several adverse effects of radiotherapy and chemotherapy in cancer patients as well as cellular processes that maintain chronic lymphoedema have been linked to oxidative cell damage in the human body."	( Selenium for alleviating the side effects of chemotherapy, radiotherapy and surgery in cancer patients. Dennert, G; Horneber, M, 2006)	0.33
"This review assessed the effects of supplementary selenium on adverse effects of conventional radiotherapy, chemotherapy, or surgery, in oncologic patients and on quality of life or performance status during and after oncologic treatment."	( Selenium for alleviating the side effects of chemotherapy, radiotherapy and surgery in cancer patients. Dennert, G; Horneber, M, 2006)	0.33
" The aim was to determine the effect of various doses of Na-selenite on the pathogenesis and course of DBTC-induced toxic changes in organs and serum of rats."	( Influence of selenium treatment on the acute toxicity of dibutyltin dichloride in rats. Berg, A; Görl, N; Hennighausen, G; Lemke, M; Merkord, J; Weber, H, 2006)	0.33
" The LD50 for mice was >or=2000 mg Sel-Plex/kg (>or=4."	( Acute and subchronic toxicity studies on Sel-Plex, a standardized, registered high-selenium yeast. Griffiths, JC; Matulka, RA; Power, R, )	0.13
" However, the boundary between cancer-protecting and toxic levels of selenium is extremely narrow."	( Extracellular production of hydrogen selenide accounts for thiol-assisted toxicity of selenite against Saccharomyces cerevisiae. Barbier, F; Blanquet, S; Dauplais, M; Grigoras, I; Ha-Duong, NT; Lazard, M; Plateau, P; Tarze, A, 2007)	0.34
" Selenate proved to be more toxic than selenite."	( Toxicity of selenate and selenite to the potworm Enchytraeus albidus (Annelida: Enchytraeidae): a laboratory test. Bakonyi, G; Kádár, I; Kiss, I; Somogyi, Z, 2007)	0.34
"Food acceptance and toxic effects of feeding sodium selenite (Se) alone and in combination with monosodium glutamate (MSG), a taste enhancer were studied in the laboratory rat."	( Effects of monosodium glutamate on food acceptance and toxicity of selenium in rats. Natt, JK; Parshad, RK, 2007)	0.6
" Our data suggest that zinc and selenium, in the concentrations mentioned above, provide no protection against adverse actions induced by sodium metavanadate at concentration levels of 50, 100 and 200 microM."	( Preliminary studies on the effect of zinc and selenium on vanadium-induced cytotoxicity in vitro. Zaporowska, H; Zwolak, I, 2009)	0.35
" It usually affects organisms in a strictly dosage-dependent manner being essential at low and toxic at higher concentrations."	( Bioaccumulation and toxicity of selenium compounds in the green alga Scenedesmus quadricauda. Bisová, K; Cízková, M; Doucha, J; Dousková, I; Hlavová, M; Machát, J; Umysová, D; Vítová, M; Zachleder, V, 2009)	0.35
"Millions of people are currently exposed to a multitude of environmentally persistent toxic metals and metalloid compounds mainly through the ingestion of drinking water and food."	( Chronic toxicity of As(III) in mammals: the role of (GS)(2)AsSe(-). Gailer, J, 2009)	0.35
"Selenium is an essential micronutrient to freshwater fish, but can be very toxic at slightly above the threshold level."	( Selenite causes cytotoxicity in rainbow trout (Oncorhynchus mykiss) hepatocytes by inducing oxidative stress. Misra, S; Niyogi, S, 2009)	0.35
" Using Saccharomyces cerevisiae we showed that sodium selenite (SeL), an inorganic form of Se, can be toxic and mutagenic in this organism due to its ability to induce DNA double-strand breaks (DSBs)."	( Investigations on the role of base excision repair and non-homologous end-joining pathways in sodium selenite-induced toxicity and mutagenicity in Saccharomyces cerevisiae. Brozmanová, J; Chovanec, M; Krascsenitsová, E; Letavayová, L; Loduhová, J; Mániková, D; Vigasová, D; Vlasáková, D; Vlcková, V, 2010)	0.84
" The objective of this study was to investigate the cytotoxicity and genotoxicity potentials of di(2-ethylhexyl)phthalate (DEHP), the most widely used phthalate and its primary toxic metabolite mono(2-ethylhexyl)phthalate (MEHP), and their effects on the antioxidant balance in the LNCaP human prostate adenocarcinoma cell line."	( Protective effect of selenium supplementation on the genotoxicity of di(2-ethylhexyl)phthalate and mono(2-ethylhexyl)phthalate treatment in LNCaP cells. De Rosa, V; Erkekoğlu, P; Favier, A; Giray, B; Hincal, F; Rachidi, W, 2010)	0.36
"Chromium, a major environmental pollutant, is known for its wide toxic manifestations."	( Effects of selenium on chromium (VI)-induced hepatotoxicity in adult rats. Ben Amara, I; Boudawara, T; Sefi, M; Soudani, N; Zeghal, N, 2011)	0.37
"As excessive iodine intake is associated with a decrease of the activities of selenocysteine-containing enzymes, supplemental selenium was hypothesized to alleviate the toxic effects of excessive iodine."	( Supplemental selenium alleviates the toxic effects of excessive iodine on thyroid. Guo, HL; Liu, XL; Sun, XF; Xu, J; Yang, XF; Zhao, LN, 2011)	0.37
" Although, the literature supports the beneficial effects of selenium against mercury toxicity, the toxic effects elicited by Na(2)SeO(3), alone or in combination with mercury, should be considered when this compound is proposed as a potential protective therapy for MeHg poisoning."	( Effects of inorganic selenium administration in methylmercury-induced neurotoxicity in mouse cerebral cortex. de Bem, AF; Farina, M; Feksa, L; Glaser, V; Latini, A; Müller, YM; Nazari, EM; Rocha, JB; Wannmacher, CM, 2010)	0.36
" Methylseleninic acid, l-selenocystine, selenodiglutathione or selenite induced cell death in micromolar concentrations, whereas selenomethionine or ebselen was not toxic within the concentration range tested."	( Comparison of different selenocompounds with respect to nutritional value vs. toxicity using liver cells in culture. Birringer, M; Hoefig, CS; Köhrle, J; Renko, K; Schomburg, L, 2011)	0.37
" In its organic form, this metal bioaccumulates, and can be toxic to several physiological endpoints, including the immune system."	( Mercury toxicity in beluga whale lymphocytes: limited effects of selenium protection. Frouin, H; Haulena, M; Loseto, LL; Ross, PS; Stern, GA, 2012)	0.38
" The low-dose sodium selenite caused growth suppression and hepatotoxicity which were aggravated by the high-dose, leading to 40% mortality rate, but no toxic symptoms were observed in the two sodium selenosulfate groups."	( Sodium selenosulfate at an innocuous dose markedly prevents cisplatin-induced gastrointestinal toxicity. Li, J; Ni, L; Sun, K; Wang, D; Wang, X; Zhang, J, 2012)	0.74
"Selenium is an essential trace element in mammals, but is toxic at high levels."	( Thioredoxin reductase 1 deficiency enhances selenite toxicity in cancer cells via a thioredoxin-independent mechanism. Calvo, S; Carlson, BA; Fradejas, N; Gladyshev, VN; Hatfield, DL; Tobe, R; Yoo, MH, 2012)	0.38
" We propose that SeL-induced toxicity markedly results from DNA injury, thereby highlighting the importance of DNA damage response and repair pathways in protecting cells against toxic effects of this Se compound."	( Selenium toxicity toward yeast as assessed by microarray analysis and deletion mutant library screen: a role for DNA repair. Chovanec, M; Griač, P; Klobučniková, V; Letavayová, L; Mániková, D; Vlasáková, D, 2012)	0.38
" A comparison of lowest toxic doses of sodium selenite in mice (0."	( Subacute toxicity of nano-selenium compared to other selenium species in mice. Banfalvi, G; Benko, I; Eszenyi, P; Nagy, G; Prokisch, J; Sztrik, A; Tanczos, B; Ungvari, E, 2012)	0.65
"Selenium, an essential trace element, can also be toxic at higher levels of exposure."	( High-dose sodium selenite toxicity cannot be prevented by the co-administration of pharmacological levels of epigallocatechin-3-gallate which in turn aggravates the toxicity. Sun, K; Thompson, HJ; Wan, X; Wang, Y; Wu, S; Zhang, J, 2013)	0.79
"Elevated concentration of selenium poses a toxic threat to organisms inhabiting aquatic ecosystems influenced by excessive inputs from anthropogenic sources."	( Selenium (sodium selenite) causes cytotoxicity and apoptotic mediated cell death in PLHC-1 fish cell line through DNA and mitochondrial membrane potential damage. Murray, E; Selvaraj, V; Tomblin, J; Yeager Armistead, M, 2013)	0.79
"This study was designed to investigate the possibility of β-cyfluthrin to induce oxidative stress and biochemical perturbations in rat liver and the role of selenium in alleviating its toxic effects."	( Selenium modulates β-cyfluthrin-induced liver oxidative toxicity in rats. El-Demerdash, FM; Jebur, AB; Nasr, HM, 2014)	0.4
"Selenium is an essential micronutrient that has a narrow exposure window between its beneficial and toxic effects."	( Protective efficacy of selenite against lead-induced neurotoxicity in Caenorhabditis elegans. Li, WH; Liao, VH; Shi, YC; Tseng, IL, 2013)	0.39
"Heavy metals are known to be toxic to organisms."	( Nephrotoxic effects of lead nitrate exposure in diabetic and nondiabetic rats: Involvement of oxidative stress and the protective role of sodium selenite. Baş, H; Kalender, Y, 2016)	0.64
" The primary endpoint was safety, dose-limiting toxic effects and the MTD of sodium selenite."	( Pharmacokinetics and Toxicity of Sodium Selenite in the Treatment of Patients with Carcinoma in a Phase I Clinical Trial: The SECAR Study. Asker-Hagelberg, C; Björnstedt, M; Brodin, O; Eksborg, S; Jacobsson, H; Larsen, EH; Lenneby-Helleday, C; Linder, S; Misra, S; Mohlkert, D; Wallenberg, M, 2015)	0.93
" The most common adverse events were fatigue, nausea, and cramps in fingers and legs."	( Pharmacokinetics and Toxicity of Sodium Selenite in the Treatment of Patients with Carcinoma in a Phase I Clinical Trial: The SECAR Study. Asker-Hagelberg, C; Björnstedt, M; Brodin, O; Eksborg, S; Jacobsson, H; Larsen, EH; Lenneby-Helleday, C; Linder, S; Misra, S; Mohlkert, D; Wallenberg, M, 2015)	0.7
" Results show the adverse effects of AgNPs on the male reproductive tract, particularly spermatogenesis, and suggest that Se possesses significant potential in reducing AgNP-induced testicular toxicity."	( Sodium Selenite Protects Against Silver Nanoparticle-Induced Testicular Toxicity and Inflammation. Abudawood, M; Aleem, MM; Ansar, S; Hamed, SS, 2017)	1.9
"Aflatoxins have been considered as one of the major risk factors of male infertility, and aflatoxin B1 (AFB1) is the most highly toxic and prevalent member of the aflatoxins family."	( Protective Effect of Selenium on Aflatoxin B1-Induced Testicular Toxicity in Mice. Cao, Z; Li, Y; Liu, Y; Shao, B; Xu, F; Zhu, Y, 2017)	0.46
" One such toxic effect on testicular tissues is not well studied and the underlying molecular mechanisms remain unexplored."	( Selenium Ameliorates Ibuprofen Induced Testicular Toxicity by Redox Regulation: Running Head: Se protects against NSAID induced testicular toxicity. Ghanghas, P; Kaur, J; Kaur, P; Kaushal, N; Sharma, P, 2020)	0.56
" Selenium (Se) possesses a beneficial role in protecting animals and ameliorating the toxic effects of Cd."	( Comparative study on protective effect of different selenium sources against cadmium-induced nephrotoxicity via regulating the transcriptions of selenoproteome. Cui, ZG; Ge, J; Li, JL; Li, JY; Liu, LL; Lv, MW; Talukder, M, 2021)	0.62

Pharmacokinetics

Excerpt	Reference	Relevance
" The pharmacokinetic aspects of this interaction were studied in rodents with radiolabeled selenite and cisplatin."	( Reduction of cisplatin nephrotoxicity by sodium selenite. Lack of interaction at the pharmacokinetic level of both compounds. Baldew, GS; De Goeij, JJ; Los, G; McVie, JG; Vermeulen, NP, )	0.4
" The course of selenium concentration changes in blood was described, the pharmacokinetic parameters were estimated according to the trivalent equation of dicompartment model and the selenium content in liver, kidneys, small intestine, spleen, heart, brain, stomach, testicles and prostate was determined 48 h after the administration of selenium preparations."	( Pharmacokinetics and distribution of selenium in blood and organs of rats. Dolińska, B; Dróźdź, M; Ryszka, F; Szulc, B; Zientarska, G, 1994)	0.29
" Additional investigations into the posology and pharmacokinetic profile of selenium are still required."	( Selenium supplementation in the critically ill: posology and pharmacokinetics. Hardy, G; Manzanares, W, 2009)	0.35
" We aimed to determine pharmacokinetic and pharmacodynamic profiles of selenite and estimate a safe dose to optimize selenium status."	( High-dose selenium for critically ill patients with systemic inflammation: pharmacokinetics and pharmacodynamics of selenious acid: a pilot study. Biestro, A; Facchin, G; Galusso, F; Hardy, G; Mañáy, N; Manzanares, W; Torre, MH, 2010)	0.36
" Pharmacokinetic concentration/time curves for serum selenium overlapped but were independent of dose, whereas the pharmacodynamics were different, showing maximum glutathione peroxidase activity only with VHD."	( High-dose selenium for critically ill patients with systemic inflammation: pharmacokinetics and pharmacodynamics of selenious acid: a pilot study. Biestro, A; Facchin, G; Galusso, F; Hardy, G; Mañáy, N; Manzanares, W; Torre, MH, 2010)	0.36
" In the present study, we investigated the pharmacokinetic process of sodium selenate in healthy piglet plasma after either intramuscular injection or oral administrations, and examined dynamic changes of antioxidant system in healthy piglets after Se supplementation."	( Pharmacokinetics of Selenium in Healthy Piglets After Different Routes of Administration: Application of Pharmacokinetic Data to the Risk Assessment of Selenium. Xing, H; Xu, S; Xue, H; Zhang, Z; Zheng, S; Zhu, F, 2019)	0.51
"5 mg), a population pharmacokinetic model was constructed using NONMEM."	( Clinical Pharmacokinetics of Oral Sodium Selenite and Dosing Implications in the Treatment of Patients with Metastatic Cancer. Garcia-Cremades, M; Jayachandran, P; Knox, SJ; Savić, RM, 2021)	0.9
"The population model described the pharmacokinetic data well."	( Clinical Pharmacokinetics of Oral Sodium Selenite and Dosing Implications in the Treatment of Patients with Metastatic Cancer. Garcia-Cremades, M; Jayachandran, P; Knox, SJ; Savić, RM, 2021)	0.9

Compound-Compound Interactions

Sodium selenite at concentration of 2 micromol/L was not able to induce differentiation of NB4 cells, but when combined with 0.5 mg/L all-trans retinoic acid (ATRA) worked.

Excerpt	Reference	Relevance
"To study the effects of low dose sodium selenite combined with all-trans retinoic acid (ATRA) on apoptosis and differentiation of human acute promyelocytic leukemia (APL) NB4 cells."	( [Apoptosis and differentiation induced by sodium selenite combined with all-trans retinoic acid (ATRA) in NB4 cells]. Pan, H; Shen, T; Sun, Y; Xu, C; Zhang, Z; Zuo, L, 2002)	0.86
"Selenite is frequently used in combination with cancer chemotherapeutic agents to reduce side effects."	( Effect of selenite combined with chemotherapeutic agents on the proliferation of human carcinoma cell lines. Eickhoff, CA; Goeldner, EM; Heidecke, H; Holtermann, P; Schroeder, CP; Schulze-Forster, K, 2004)	0.32
" We further investigated the cellular effects induced by selenite or tellurite in combination with the specific TrxR inhibitor auranofin."	( Treatment of human cancer cells with selenite or tellurite in combination with auranofin enhances cell death due to redox shift. Bindoli, A; Björnstedt, M; Fernandes, AP; Folda, A; Gandin, V; Marzano, C; Rigobello, MP; Rundlöf, AK, 2009)	0.35
" Insulin in combination with selenium could significantly lower blood glucose and HbA1c levels and could restore disturbances in GLUT4 level in the cardiac muscle."	( The effect of insulin in combination with selenium on blood glucose and GLUT4 expression in the cardiac muscle of streptozotocin-induced diabetic rats. Xu, TJ; Yuan, BX; Zang, WJ; Zou, YM, 2010)	0.36
"Insulin in combination with selenium could significantly lower blood glucose and HbAlc levels, and restore the disturbances in PI3K and GLUT4 levels in skeletal muscle."	( Effect of insulin in combination with selenium on blood glucose and PI3K-mediated GLUT4 expression in skeletal muscle of streptozotocin-induced diabetic rats. Liu, Y; Xu, TJ; Yuan, BX; Zen, J; Zhang, D, 2011)	0.37
"The present study explored the prospect of using low doses of insulin in combination with selenium to evaluate their antidiabetic effect, and to evaluate their effect on IRS-1, PI3K and GLUT4 levels in cardiac muscle of diabetic rats."	( Effect of insulin in combination with selenium on Irs/PI3K-mediated GLUT4 expression in cardiac muscle of diabetic rats. Liu, Y; Xu, TJ; Yuan, B, 2011)	0.37
"Insulin in combination with selenium could significantly revive normoglycemia, and restore the disturbances in IRS-1, PI3K and GLUT4 levels in cardiac muscle."	( Effect of insulin in combination with selenium on Irs/PI3K-mediated GLUT4 expression in cardiac muscle of diabetic rats. Liu, Y; Xu, TJ; Yuan, B, 2011)	0.37
" PZI combined with Se decreased the body weight and fasting blood glucose levels."	( Protamine zinc insulin combined with sodium selenite improves glycometabolism in the diabetic KKAy mice. Chen, L; Chen, M; Ji, W; Lu, J; Ren, S; Wang, B; Wang, M; Yan, W; Yuan, B; Zhao, M, 2016)	0.71
"The effects of supplementing lambs with Co, either alone or in combination with vitamin B and Se, were evaluated over the period from weaning to selection for slaughter."	( Cobalt supplementation, alone or in combination with vitamin B and selenium: Effects on lamb performance and mineral status. Fagan, SP; Hanrahan, JP; Keady, TW, 2017)	0.46

Bioavailability

The bioavailability of selenium (Se) from veal, chicken, beef, pork, lamb, flounder, tuna, and sodium selenite was assessed in Se-deficient Fischer-344 rats. The aim of this study was to compare the effect of DL-selenomethionine (SM) with 2 routinely used Se sources, sodium se lenite (SS) and seleno-yeast (SY)

Excerpt	Reference	Relevance
" The purpose of this work was to study the bioavailability of one selenium drug, "Granions de Sélénium", as compared with sodium selenite."	( Selenium bioavailability as selenite (74Se) and as a selenium drug (76Se) by stable isotope methodology. Ducros, V; Favier, A; Guigues, M, 1991)	0.49
" In low-Se rabbits the distribution in body was more rapid and more extensive, and the bioavailability was higher than that in normal-Se rabbits."	( [Pharmacokinetic study of sodium selenite in low-selenium rabbits]. Cui, GA; Guo, JA; Han, J; Li, L; Wang, XY, 1990)	0.58
" The bioavailability of the Se pool in maintaining liver glutathione peroxidase activity during a period of Se deprivation, following excess selenite or selenomethionine loading, was also assessed."	( Tissue selenium levels in selenium-supplemented rats and their relevance in mammary cancer protection. Hayes, C; Ip, C, 1989)	0.28
"In the study the relative bioavailability as well as the extent of bioavailability of selenium after a single intragastric administration of selenium yeast and sodium selenite have been determined."	( Bioavailability of selenium from selenium preparations in rats. Dolinska, B; Drózdz, M; Ryszka, F; Szulc, B, 1994)	0.49
" The present study was designed to evaluate the nutritional bioavailability of selenium from this garlic with use of two liver selenoenzymes as biomarkers: glutathione peroxidase and type I 5'-deiodinase."	( Bioavailability of selenium from selenium-enriched garlic. Ip, C; Lisk, DJ, 1993)	0.29
" The bioavailability data suggest that the selenium from p-XSC is not as efficiently incorporated into glutathione peroxidase as the selenium from selenite or the other selenocyanate analogs."	( Comparative effect of inorganic and organic selenocyanate derivatives in mammary cancer chemoprevention. el-Bayoumy, K; Ganther, H; Ip, C; Thompson, H; Upadhyaya, P; Vadhanavikit, S, 1994)	0.29
"The bioavailability of selenium (Se) was determined in bacterial strains that reduce selenite to red elemental Se (SeO)."	( Bioavailability of selenium accumulated by selenite-reducing bacteria. Buchanan, BB; Carlson, DE; Combs, GF; Garbisu, C; Leighton, T; Magyarosy, AC; Smith, NR; Yee, A; Yee, BC, 1996)	0.29
"The influences of fulvic acid (FA) on bioavailability and toxicity of selenite for wheat seedling and growth were studied by greenhouse hydroponic experiment."	( Influences of fulvic acid on bioavailability and toxicity of selenite for wheat seedling and growth. Peng, A; Wang, Z; Xu, Y, )	0.13
"The bioavailability of selenium (Se) from veal, chicken, beef, pork, lamb, flounder, tuna, selenomethionine (SeMet), and sodium selenite was assessed in Se-deficient Fischer-344 rats."	( Bioavailability of selenium from veal, chicken, beef, pork, lamb, flounder, tuna, selenomethionine, and sodium selenite assessed in selenium-deficient rats. Boylan, M; Chen, JJ; Chen, L; Davis, RL; Shi, B; Spallholz, JE; Wen, HY, )	0.55
"The bioavailability of selenium (Se) in high-Se yeast (SeY) was evaluated by measuring tissue Se accumulation and glutathione peroxidase (GSHPx) activity."	( An evaluation of the bioavailability of selenium in high-selenium yeast. Fukunaga, K; Tsuchita, H; Yasumoto, K; Yoshida, M, 1999)	0.3
" We also measured the activities of liver glutathione peroxidase and thioredoxin reductase as markers of selenium bioavailability in these different treatment conditions."	( Chemoprevention with triphenylselenonium chloride in selenium-deficient rats. Ganther, HE; Ip, C; Lisk, DJ, )	0.13
" This was confirmed by measuring the bioavailability of Se by slope-ratio analysis using selenite as the reference form of Se."	( Selenium from selenium-rich Spirulina is less bioavailable than selenium from sodium selenite and selenomethionine in selenium-deficient rats. Besançon, P; Caporiccio, B; Cases, J; Lobinski, R; Napolitano, A; Rouanet, JM; Vacchina, V, 2001)	0.54
" They also demonstrate that foods with high Se bioavailability are not necessarily the most efficacious for cancer incidence reduction."	( Selenium (Se) from high-selenium broccoli is utilized differently than selenite, selenate and selenomethionine, but is more effective in inhibiting colon carcinogenesis. Davis, CD; Finley, JW, 2001)	0.31
" These results demonstrate that Nano-Se has a similar bioavailability in the rat and antioxidant effects on cells."	( Biological effects of a nano red elemental selenium. Bao, YP; Gao, XY; Zhang, JS; Zhang, LD, 2001)	0.31
" The bioavailability of Se was investigated by 5 morphological end points and 12 biological and biochemical end points at different phases of growth of wheat seedling and seed germination."	( The effect of fulvic acid on the dose effect of selenite on the growth of wheat. Peng, A; Wang, ZJ; Xu, Y, 2001)	0.31
"It was previously found that the bioavailability of Se from Se-rich spirulina (SeSp) was lower than that from selenite or selenomethionine when fed to Se-deficient rats."	( Assessment of selenium bioavailability from high-selenium spirulina subfractions in selenium-deficient rats. Besançon, P; Caporiccio, B; Cases, J; Jouy, N; Rouanet, JM; Szpunar, J; Wysocka, IA, 2002)	0.31
" Our results indicate that selenium from inorganic sources can be transferred efficiently via mother's milk to the developing offspring in a form that is both highly bioavailable by target tissues and yet sufficiently safe to prevent overdosages."	( Efficient selenium transfer from mother to offspring in selenoprotein-P-deficient mice enables dose-dependent rescue of phenotypes associated with selenium deficiency. Köhrle, J; Michaelis, M; Schomburg, L; Schweizer, U, 2004)	0.32
" The presented results confirm the low bioavailability to ruminants of Se from sodium selenite."	( Urinary selenium excretion in selenite-loaded sheep and subsequent Se dynamics in blood constituents. Boldizárová, K; Faix, S; Gresáková, L; Leng, L; Levkut, M, )	0.36
" This system increases both the drug solubility in aqueous eye drops and the permeability of drug into the rabbit eye, by the formation of a drug-cyclodextrin inclusion complex, and so enhances the ocular bioavailability and anti-cataract effect of DSF."	( Bioavailability and anticataract effects of a topical ocular drug delivery system containing disulfiram and hydroxypropyl-beta-cyclodextrin on selenite-treated rats. Ito, Y; Li, D; Nabekura, T; Wang, S; Wu, C; Zhang, J, 2004)	0.32
" The ocular bioavailability was calculated by a transcorneal experiment of DSF in vivo."	( Bioavailability and anticataract effects of a topical ocular drug delivery system containing disulfiram and hydroxypropyl-beta-cyclodextrin on selenite-treated rats. Ito, Y; Li, D; Nabekura, T; Wang, S; Wu, C; Zhang, J, 2004)	0.32
"The formation of DSF/HPbetaCD inclusion and the addition of hydroxypropylmethylcellulose (HPMC), as a penetration enhancer, played very important roles in increasing the ocular bioavailability of DSF."	( Bioavailability and anticataract effects of a topical ocular drug delivery system containing disulfiram and hydroxypropyl-beta-cyclodextrin on selenite-treated rats. Ito, Y; Li, D; Nabekura, T; Wang, S; Wu, C; Zhang, J, 2004)	0.32
" DSF ocular bioavailability in rabbit aqueous humor exceeded those reported for the DSF ophthalmic preparation."	( Bioavailability and anticataract effects of a topical ocular drug delivery system containing disulfiram and hydroxypropyl-beta-cyclodextrin on selenite-treated rats. Ito, Y; Li, D; Nabekura, T; Wang, S; Wu, C; Zhang, J, 2004)	0.32
"We previously reported that, as compared with selenite, nano red elemental selenium (Nano-Se) had lower acute toxicity in mice and similar bioavailability in terms of up-regulating seleno-enzymes."	( Comparison of short-term toxicity between Nano-Se and selenite in mice. Wang, H; Yan, X; Zhang, J; Zhang, L, 2005)	0.33
" In addition, studies have shown that Nano-Se has a similar bioavailability in rat, and much less acute toxicity in mice compared with selenite."	( A subchronic toxicity study of elemental Nano-Se in Sprague-Dawley rats. Chen, J; Jia, X; Li, N, 2005)	0.33
"A set of experiments was performed to investigate the bioavailability and the effect of Se on the ventilatory activity of the bivalve Corbicula fluminea, under different conditions of both algal cell densities and dissolved Se chemical forms and concentrations."	( Bioaccumulation of waterborne selenium in the Asiatic clam Corbicula fluminea: influence of feeding-induced ventilatory activity and selenium species. Adam, C; Fournier, E; Garnier-Laplace, J; Massabuau, JC, 2005)	0.33
" This experiment was conducted to determine the bioavailability of Se from a high-protein, high-fiber bran-isolate of buckwheat groats that contains Se."	( Selenium bioavailability from buckwheat bran in rats fed a modified AIN-93G torula yeast-based diet. Finley, JW; Gregoire, BR; Johnson, LK; Leary, PD; Lindlauf, JE; Reeves, PG, 2005)	0.33
"An in vitro gastrointestinal method was employed to predict the potential bioavailability of selenium and its species from radish, belonging to the Brassicaceae family, grown in hydroponics media in the presence of inorganic selenium, such as Na2SeO3 and Na2SeO4."	( Selenium species bioaccessibility in enriched radish (Raphanus sativus): a potential dietary source of selenium. Cámara, C; Madrid, Y; Pedrero, Z, 2006)	0.33
"The selenium bioavailability in selenium enriched Spirulina (Arthrospira platensis), phycocyanin containing (Se-PC) protein isolate, separated from this micro algae and in sodium selenite was studied and compared in rats."	( [Studies of bioavailability of different food sources of selenium in experiment]. Egorova, EA; Gmoshinskiĭ, IV; Mazo, VK; Zorin, SI, 2006)	0.53
" In addition, milk selenium results indicated improved bioavailability of selenium from selenized yeast, compared with sodium selenite."	( Selenium supplementation of lactating dairy cows: effect on selenium concentration in blood, milk, urine, and feces. Bertin, G; Jones, AK; Juniper, DT; Phipps, RH, 2006)	0.54
"Selenium has been recognized as an essential nutrient for human health; however, its bioavailability is primarily dependent upon the type of selenium, elemental versus organic."	( Acute and subchronic toxicity studies on Sel-Plex, a standardized, registered high-selenium yeast. Griffiths, JC; Matulka, RA; Power, R, )	0.13
" From this evidence we conclude that HgCl(2): (a) does not inhibit directly SeGPxs, as confirmed on isolated enzymes; (b) does not interfere with the intermediates of the metabolic pathway of selenoprotein synthesis; and (c) decreases the bioavailability of selenium only when ionic complexes can be formed."	( Effect of mercury on selenium utilization and selenoperoxidase activity in LNCaP cells. Bosello, V; Bulato, C; Maiorino, M; Ursini, F, 2007)	0.34
" In this respect, an important debate is still open about the bioavailability and the effectiveness of Se, and more generally nutrients, in supplements compared with foods."	( Dietary Selenium for the counteraction of oxidative damage: fortified foods or supplements? Bordoni, A; Danesi, F; Di Nunzio, M; Luigi Biagi, P; Malaguti, M; Maranesi, M; Pasqui, F, 2008)	0.35
" Selenium bioavailability was evaluated in terms of selenium accumulation in blood and liver as well as glutathione peroxidase activity."	( [Selenium enriched spirulina and phycocyanin are sources of bioavailable selenium]. Gladkikh, OL; Gmoshinskiĭ, IV; Kravchenko, LV; Mazo, VK, 2008)	0.35
"There was conducted a comparative study of organic and inorganic selenium forms bioavailability and of an influence of said trace elements safety on growth parameters and glutathione peroxidase activity in male wister rats."	( [Estimation of organic and inorganic selenium bioavailability in experiments with growing rats]. Buchanova, AV; Gmoshinskiĭ, IV; Ivakhnenko, VI; Mazo, VK; Peneva, VV; Zorin, SN, 2008)	0.35
" Generally speaking, organic forms of Se have less toxicity and greater bioavailability compared with inorganic forms."	( Regulation of cellular glutathione peroxidase by different forms and concentrations of selenium in primary cultured bovine hepatocytes. Chen, F; Huang, K; Pan, C; Wei, C; Wu, X, 2010)	0.36
" Se bioavailability is altered by ethanol, causing a decrease in Se retention, reducing Se levels in cortex, muscle, mammary gland and salivary gland while elevating Se values in heart, liver and spleen."	( Selenium tissue distribution changes after ethanol exposure during gestation and lactation: selenite as a therapy. Carreras, O; Jotty, K; Murillo, ML; Nogales, F; Ojeda, ML; Rubio, JM, 2009)	0.35
") supplemented diet administered to ethanol-exposed dams and male rats prevents the effects provoked by ethanol in Se bioavailability and in their glutathione peroxidase (GPx) activity, thus improving the health of their offspring."	( Folic acid and selenite during reproduction, gestation and lactation protect against ethanol changed Se bioavailability. Carreras, O; Delgado, MJ; Guerrero-León, MM; Jotty, K; Murillo, ML; Nogales, F; Ojeda, ML, )	0.13
"The in vivo bioavailability of Se was investigated in enriched Pleurotus ostreatus mushrooms."	( In vivo bioavailability of selenium in enriched Pleurotus ostreatus mushrooms. Bazzolli, DM; Costa, NM; da Silva, MC; Kasuya, MC; Naozuka, J; Oliveira, PV; Vanetti, MC, 2010)	0.36
"Determining the effect of selenium (Se) chemical form on uptake, transport, and glutathione peroxidase activity in human intestinal cells is critical to assess Se bioavailability at nutritional doses."	( Chemical form of selenium affects its uptake, transport, and glutathione peroxidase activity in the human intestinal Caco-2 cell model. Cheng, WH; Combs, GF; Jackson, MI; Zeng, H, 2011)	0.37
" Sequential extraction revealed >50% Se bioavailability in Jainpur soils."	( Hazardous concentrations of selenium in soil and groundwater in North-West India. Bajaj, M; Eiche, E; Gallert, C; Neumann, T; Winter, J, 2011)	0.37
"The objective of the present study was to describe the uptake and elimination kinetics of selenium (Se) administered in the forms of selenate, selenite, and selenomethionine (seleno-DL-methionine) in different life stages of the midge Chironomus dilutus, and to determine the relationship between Se bioavailability and Se speciation using X-ray absorption spectroscopy (XAS)."	( Selenium bioaccumulation and speciation in Chironomus dilutus exposed to water-borne selenate, selenite, or seleno-DL-methionine. Franz, ED; Janz, DM; Liber, K; Pickering, IJ; Wiramanaden, CI, 2011)	0.37
" Here we investigated the bioavailability and toxicity of Se nanoparticles (SeNPs) using 10-day waterborne and dietary exposures to larvae of Chironomus dilutus, a common benthic invertebrate."	( Bioavailability, toxicity and biotransformation of selenium in midge (Chironomus dilutus) larvae exposed via water or diet to elemental selenium particles, selenite, or selenized algae. Doig, LE; Gallego-Gallegos, M; Liber, K; Pickering, IJ; Tse, JJ, 2013)	0.39
" The relative bioavailability of the different Se sources was compared on muscle (pectoralis major) total Se, selenomethionine (SeMet) and selenocysteine (SeCys) concentrations and apparent digestibility of total Se (ADSe)."	( Comparative study of a new organic selenium source v. seleno-yeast and mineral selenium sources on muscle selenium enrichment and selenium digestibility in broiler chickens. Briens, M; Geraert, PA; Mercier, Y; Rouffineau, F; Vacchina, V, 2013)	0.39
" The selenium chemical speciation can strongly affect the bioavailability of this metal and its impact on metabolism, dictating the levels that can be beneficial or detrimental towards an organism."	( Characterization of cytosolic glutathione peroxidase and phospholipid-hydroperoxide glutathione peroxidase genes in rainbow trout (Oncorhynchus mykiss) and their modulation by in vitro selenium exposure. Feldmann, J; Martin, SA; Pacitti, D; Page, MM; Secombes, CJ; Sweetman, J; Wang, T, 2013)	0.39
" Results indicated that differences exist in both bioaccessibility and bioavailability between the three types of FS, and that these differences could be related, at least partially, to the Se species profile."	( Selenium bioaccessibility and bioavailability in Se-enriched food supplements. De Temmerman, L; Pussemier, L; Ruttens, A; Schneider, YJ; Thiry, C, 2013)	0.39
" A large fraction (50-80%) of added Hg(2+) to a culture ended up in a solid phase (Hg(0) and likely HgS) limiting its bioavailability to cells with elemental Hg representing ~40% of the solid."	( Effect of sulfide, selenite and mercuric mercury on the growth and methylation capacity of the sulfate reducing bacterium Desulfovibrio desulfuricans. Belzile, N; Chen, YW; Truong, HY, 2013)	0.39
" At the end of the experiment, blood, liver, and psoas major muscle of all gilts were collected for total Se and relative bioavailability determination."	( Evaluation of the efficacy of 2-hydroxy-4-methylselenobutanoic acid on growth performance and tissue selenium retention in growing pigs. Briens, M; Geraert, PA; Jlali, M; Mercier, Y; Rouffineau, F, 2014)	0.4
" The nanocomplex ZnX could interact directly with enzyme activity or indirectly by the disruption of mineral elements' bioavailability in cells."	( Interaction between nanoparticles generated by zinc chloride treatment and oxidative responses in rat liver. Abdelmelek, H; Azzouz, I; Ferchichi, S; Hanini, A; Sakly, M; Tebourbi, O; Trabelsi, H, 2014)	0.4
" These results suggest that SeMet may improve glucose tolerance in a NA/STZ-induced mild diabetic mouse model by increasing bioavailability in the pancreas."	( Effects of administering sodium selenite, methylseleninic acid, and seleno-L-methionine on glucose tolerance in a streptozotocin/nicotinamide-induced diabetic mouse model. Arakawa, T; Nakamuro, K; Ogino, H; Okuno, T; Sakazaki, F; Shimizu, R; Ueno, H, 2014)	0.71
"The aim of this study was to compare the effect of DL-selenomethionine (SM) with 2 routinely used Se sources, sodium selenite (SS) and seleno-yeast (SY), on relative bioavailability based on antioxidant activity and tissue Se content."	( Comparative study of DL-selenomethionine vs sodium selenite and seleno-yeast on antioxidant activity and selenium status in laying hens. Dong, XF; Jing, CL; Liu, S; Tong, JM; Wang, ZM, 2015)	0.89
"65 mg/kg DM) TWG hay as a Se source for lactating dairy cows and measured Se accumulation in milk, blood, urine and feces to assess its bioavailability using several indices."	( Bioavailability of selenium in 'Jose' tall wheatgrass (Thinopyrum ponticum var 'Jose') hay as a substitute for sodium selenite in the diets of dairy cattle. Benes, SE; Cun, GS; Robinson, PH, 2015)	0.63
"The objective of this study was to determine selenium (Se) deposition kinetics in muscles and feathers of broilers in order to develop a rapid method to compare bioavailability of selenium sources."	( Selenium deposition kinetics of different selenium sources in muscle and feathers of broilers. Briens, M; Couloigner, F; Geraert, PA; Jlali, M; Mercier, Y; Rouffineau, F, 2015)	0.42
" Although joint zinc and selenium supplementation is frequently applied in the prevention of prostate diseases, the bioavailability of these elements in the prostate after co-administration is still unknown."	( The Effect of Zinc and Selenium Supplementation Mode on Their Bioavailability in the Rat Prostate. Should Administration Be Joint or Separate? Daragó, A; Kilanowicz, A; Klimczak, M; Nasiadek, M; Sapota, A, 2016)	0.43
"05) Se bioavailability than hens fed Se from SS."	( Effect of Selenium from Selenium-Enriched Kale Sprout Versus Other Selenium Sources on Productivity and Selenium Concentrations in Egg and Tissue of Laying Hens. Chantiratikul, A; Chantiratikul, P; Chinrasri, O, 2018)	0.48
" The deposition rate of Se in the eggs from hens fed a SY-supplemented diet was much more rapid than that from hens fed a SS-supplemented diet, and the organic Se from SY had higher bioavailability as compared to inorganic Se from SS."	( Comparison of dynamic change of egg selenium deposition after feeding sodium selenite or selenium-enriched yeast. Dou, TC; Guo, J; Hu, YP; Lu, J; Qu, L; Shen, MM; Wang, KH, 2018)	0.71
"The particle size of selenium (Se) sources could affect Se absorption and utilization, and thus it is hypothesized that the Se bioavailability might be higher in ultrafine sodium selenite (USSe) than in sodium selenite (SSe) for broilers because of USSe's smaller particle size."	( Relative bioavailability of ultrafine sodium selenite for broilers fed a conventional corn-soybean meal diet. Liao, X; Lu, L; Luo, X; Ma, X; Zhang, L; Zhang, S, 2018)	0.95
" However, an important consideration regarding hesperetin consumption is the limited bioavailability due to its poor solubility."	( Oral intake of α‑glucosyl‑hesperidin ameliorates selenite‑induced cataract formation. Aoki, M; Endo, S; Funakoshi-Tago, M; Ishiwa, S; Morishita, N; Nagai, N; Nakazawa, Y; Tamura, H; Yamamoto, N, 2020)	0.56
" High selenite reduced nitric oxide bioavailability and impaired angiogenesis."	( Endoplasmic reticulum stress and oxidative stress drive endothelial dysfunction induced by high selenium. Agouni, A; Maamoun, H; Meira, LB; Milano, L; Rayman, MP; Zachariah, M, 2021)	0.62
"Elemental selenium nanosphere is considered to exhibit high bioavailability compared to its salts."	( Reduction of selenite to selenium nanospheres by Se(IV)-resistant Lactobacillus paralimentarius JZ07. Dai, F; Li, H; Li, Z; Wang, Q, 2022)	0.72

Dosage Studied

SUSTAIN-CSX study is a multicenter trial to investigate the effect of a perioperative high dosage sodium selenite supplementation in high-risk cardiac surgical patients. Eligible patients will be randomly assigned to either the treatment group or the control group.

Excerpt	Relevance	Reference
" Sodium selenite dosing was characterised by a dramatic fall in systemic blood pressure with an increase in cardiac output and heart frequency."	( Pathogenesis of sodium selenite and dimethylselenide acute toxicosis in pigs: cardiovascular changes. Fink-Gremmels, J; Nebbia, C; Soffietti, MG; Zittlau, E, 1991)	1.54
" The dosing regimens were oral, intravenous, and osmotic minipump infusion."	( Embryotoxicity and dose-response relationships of selenium in hamsters. Book, SA; Choy, WN; Ferm, VH; Hanlon, DP; Willhite, CC, 1990)	0.28
" The placental transfer of Se was restricted but, nevertheless, increased with time after dosing and with progression from embryonic through fetal stages thereby suggesting active placental transfer."	( Comparative embryotoxicity of selenite and selenate: uptake in murine embryonal and fetal tissues and effects on blastocysts and embryonic cells in vitro. Danielson, M; Danielsson, BR; Khayat, A; Wide, M, 1990)	0.28
" The efficacious dosage regimens of sodium selenite in low-Se human body have not been clear."	( [Pharmacokinetic study of sodium selenite in low-selenium rabbits]. Cui, GA; Guo, JA; Han, J; Li, L; Wang, XY, 1990)	0.85
" In the case of congenital hypothyroidism (n = 37) application of sodium selenite in the above specified dosage yielded a mean serum selenium increase (0."	( Sodium selenite therapy and thyroid-hormone status in cystic fibrosis and congenital hypothyroidism. Dawczynski, H; Jahreis, G; Janitzky, E; Kauf, E; Winnefeld, K, 1994)	1.97
" Only in cases where a dose-response curve declines to a level at or above the background and then levels off, can toxicity be excluded."	( Screening for agents inhibiting the mutagenicity of extracts and constituents of tobacco products. Curvall, M; Jansson, T; Jenssen, D; Romert, L, 1994)	0.29
" The results of the test are traditionally summarized by a dose-response curve, and the time course of effect is usually ignored for lack of a suitable model."	( Estimation of acute toxicity by fitting a dose-time-response surface. Basu, AP; Ellersieck, MR; Krause, GF; Mayer, FL; Sun, K, 1995)	0.29
" After treatment with MM, instead of the expected decrease in enzyme activities, an increase was observed in the kidney and a small decrease in the liver with no dose-response relation in either organ."	( The differential modulation of the enzymes of glutathione metabolism. Indication of overlapping effects of toxicity and repair in mouse liver and kidney after dietary treatment with methyl mercury and sodium selenite. Di Simplicio, P; Gorelli, M; Leonzio, C; Vignani, R, 1993)	0.47
" Thereafter they received a daily dosage of 100 mg coenzyme Q10 (Bio-Quinone) and 100 mcg selenium (Bio-Selenium in the form of 1-seleno-methionine) for a period of one year."	( Coenzyme Q10 and antioxidants in acute myocardial infarction. Fähnrich, A; Kuklinski, B; Weissenbacher, E, 1994)	0.29
" This was demonstrated in a time course repletion experiment as well as in a dose-response experiment."	( Bioavailability of selenium from selenium-enriched garlic. Ip, C; Lisk, DJ, 1993)	0.29
" Dimethyl selenide (DMSe) exhaled within 24 h following dosing was measured, along with inorganic and monomethylated (MMSe) forms of selenium plus trimethylselenonium ion (TMSe+) in urine."	( Metabolites of sodium selenite and methylated selenium compounds administered at cancer chemoprevention levels in the rat. Ganther, HE; Ip, C; Vadhanavikit, S, 1993)	0.64
" The results showed a variability in cadmium levels in hens, according to the dosage applied."	( The effect of cadmium treatment on breeding hens and cocks and early viability of their chickens. Janotíková, I; Maretta, M; Marettová, E; Pribilincová, J, 1995)	0.29
" The dose-response was similar for thioredoxin reductase and glutathione peroxidase, but the recovery of glutathione peroxidase activity upon selenium supplementation was faster than with thioredoxin reductase."	( Evidence for a functional relevance of the selenocysteine residue in mammalian thioredoxin reductase. Flohé, L; Marcocci, L; Packer, L, 1997)	0.3
" We conclude that, despite of lacking clinical symptoms, a selenium supply in phenylketonuria patients under diet is necessary and should be performed with usefull peroral sodium selenite (115 micrograms Se/m2 BSA/d) initially, followed by a dosage between 30 and 60 micrograms Se/m2 BSA/d)."	( [Selenium in phenylketonuria patients. Effects of sodium selenite administration]. Dawczynski, H; Häfer, R; Kauf, E; Seidel, J; Stein, F; Vogt, L; Winnefeld, K, 1997)	0.74
"To investigate the effectiveness and dosage of selenium in the treatment of lymphedema."	( [Administration of selenium in lymphedema]. Kasseroller, R, 1997)	0.3
" A leftward shift in the carbachol dose-response curve indicated increased sensitivity to carbachol in Cd- and/or Sepretreated guinea pigs."	( Guinea pig pulmonary mechanics: altered sensitivity to carbachol by cadmium and/or selenium. Bell, RR; Early, JL; Hammerbeck, DM; Nonavinakere, VK; Soliman, MR, 1998)	0.3
" The dose-response data of apoptosis induced by selenite or selenodiglutathione were similar to those of cytotoxicity, implicating a relationship between the induction of apoptosis and cytotoxicity."	( Induction of apoptosis by selenite and selenodiglutathione in HL-60 cells: correlation with cytotoxicity. Cho, DY; Chung, AS; Jung, U, 1999)	0.3
" Extradietary supplementation of selenium at the dosage of 200 micrograms per day is generally considered safe and adequate for an adult of average weight subsisting on the typical American diet."	( Nutritional selenium supplements: product types, quality, and safety. Schrauzer, GN, 2001)	0.31
" In addition, selenium in the brain increased when a dosage of 30 micromol/kg and more of selenite was injected into LPS-treated female mice."	( Gender difference regarding selenium penetration into the mouse brain. Dohi, Y; Ichida, S; Minami, T; Sakita, Y, 2002)	0.31
" At 10(-4) and 10(-5) M, Cd sulphate exerted a dose-response inhibitory action on phytohemagglutinin- (PHA-) stimulated PBMC proliferation and cytokine release, while 10(-4) M and 10(-5) M Zn sulphate and 10(-5) M sodium selenite induced a stimulatory effect on both proliferation and cytokine release; 10(-4) M sodium selenite enhanced only the PBMC proliferation; at 10(-6) M, none of the salts changed the PHA-stimulated immune activity."	( Inhibitory effects of cadmium on peripheral blood mononuclear cell proliferation and cytokine release are reversed by zinc and selenium salts. Boscolo, P; Carmignani, M; Castellani, ML; Di Giampaolo, L; Di Gioacchino, M; Kouri, M; Lucci, I; Paganelli, R; Qiao, N; Reale, M; Travaglini, P; Verna, N; Volpe, AR, 2005)	0.51
" It is concluded that sodium selenite administration at the dosage chosen acts as a cytoprotective agent, alleviating side effects and immunosuppressive effects of cytotoxic chemotherapeutic agents."	( Effect of high-dose sodium selenite therapy on polymorphonuclear leukocyte apoptosis in non-Hodgkin's lymphoma patients. Asfour, IA; El Shazly, S; Fayek, MH; Hegab, HM; Moussa, MA; Raouf, S, 2006)	0.97
" Results also showed an obvious dose-response relationship between the rates of comet cells and the doses of sodium selenite (r=0."	( DNA damage, apoptosis and C-myc, C-fos, and C-jun overexpression induced by selenium in rat hepatocytes. Chen, XM; Yang, CF; Yu, RA, 2006)	0.55
" It is concluded that sodium selenite administration at the dosage and duration chosen acts as a down regulator of Bcl-2 and improves clinical outcome."	( The impact of high-dose sodium selenite therapy on Bcl-2 expression in adult non-Hodgkin's lymphoma patients: correlation with response and survival. Asfour, IA; El-Desoky, H; Fayek, M; Hegab, HM; Moussa, MA; Raouf, S; Saleh, R; Soliman, M, 2007)	0.96
" It is concluded that sodium selenite administration at the dosage and duration chosen has synergistic effect to chemotherapy in inducing apoptosis and, consequently, could improve clinical outcome."	( High-dose sodium selenite can induce apoptosis of lymphoma cells in adult patients with non-Hodgkin's lymphoma. Abdel-Sattar, MA; Ahmed, MH; Asfour, IA; El-Tehewi, MM; Fathey, OM; Hegab, HM; Moustafa, NN, 2009)	1.07
"Administration of sodium selenite in septic shock has been associated with apparently conflicting results that may be related to different dosing schedules."	( A large-bolus injection, but not continuous infusion of sodium selenite improves outcome in peritonitis. Ahishakiye, D; De Backer, D; Forceville, X; Macours, P; Neve, J; Piagnerelli, M; Van Antwerpen, P; Vincent, JL; Wang, Z, 2009)	0.93
"The used dosage of 500 microg sodium selenite per day is sufficient to treat selenium deficiency during radiotherapy."	( Selenium substitution during radiotherapy of solid tumours - laboratory data from two observation studies in gynaecological and head and neck cancer patients. Bruns, F; Büntzel, J; Glatzel, M; Kisters, K; Kundt, G; Micke, O; Mücke, R; Schäfer, U; Schönekaes, K, 2010)	0.65
" Group IV Wistar rat pups with selenium-induced cataract were post-treated with curcumin at the group III dosage 24 h after selenium administration."	( Effect of curcumin on the modulation of αA- and αB-crystallin and heat shock protein 70 in selenium-induced cataractogenesis in Wistar rat pups. Arumugam, M; Beulaja, M; Manikandan, R; Thiagarajan, R, 2011)	0.37
" We investigated the metabolism of L-selenomethionine (SeMet) and selenite by probiotic bacteria in vitro and the disposition of selenium after probiotic treatment followed by oral dosing with SeMet and selenite in rats."	( Metabolism of L-selenomethionine and selenite by probiotic bacteria: in vitro and in vivo studies. Fawcett, JP; Krittaphol, W; McDowell, A; Tagg, JR; Thomson, CD; Wescombe, PA, 2011)	0.37
"Although the essentiality of dietary Se for sheep has been known for decades, the chemical source and Se dosage for optimal health remain unclear."	( Organic and inorganic selenium: I. Oral bioavailability in ewes. Bobe, G; Forsberg, NE; Hall, JA; Mosher, WD; Nichols, T; Pirelli, GJ; Stewart, WC; Van Saun, RJ; Vorachek, WR, 2012)	0.38
" The data indicate that selenium in the form of sodium selenite at appropriate dosage (<10."	( Effect of selenium on the interaction between daunorubicin and cardiac myosin. Li, BH; Lin, AH; Liu, Y; Sun, XM; Wang, DB, 2012)	0.63
"This experiment was designed to compare the effect of two selenium sources at the dosage of therapeutic level on hepatocarcinogenesis and angiogenic cytokines in DEN-induced hepatocarcinoma rats to further approach their possible anticancer's mechanism."	( Effect of two selenium sources on hepatocarcinogenesis and several angiogenic cytokines in diethylnitrosamine-induced hepatocarcinoma rats. Liu, JG; Liu, YJ; Liu, YW; Wang, XL; Zhao, HJ, 2012)	0.38
"On the basis of previous test that selenizing Chinese angelica polysaccharides (sCAPs) with stronger immune-enhancing activity in vitro were picked out, the immune-enhancing activity in vivo of three sCAPs, sCAP2, sCAP6 and sCAP8, at high and low dosage were compared taking the unmodified Chinese angelica polysaccharide (CAP) as control by determination of peripheral lymphocyte proliferation, serum antibody titer, IFN-γ and IL-6 contents in chicken vaccinated with Newcastle Disease vaccine."	( Selenylation modification can enhance immune-enhancing activity of Chinese angelica polysaccharide. Chen, J; Gao, Z; Hu, Y; Huang, Y; liu, R; Qin, T; Qiu, S; Wang, D; Wang, M; Wang, Q; Yu, Y; Zhang, J, 2013)	0.39
" Selenium might reduce antibody levels and result in a decreased dosage of LT4 and may provide other beneficial effects (e."	( Selenium supplementation for Hashimoto's thyroiditis. Albusta, AY; Carter, B; Fedorowicz, Z; Pijl, H; van Zuuren, EJ, 2013)	0.39
" One of our primary outcomes－'change from baseline in health related quality of life'－and two of our secondary outcomes－'change from baseline in LT4 replacement dosage at end of the study' and 'economic costs'－were not assessed in any of the studies."	( Selenium supplementation for Hashimoto's thyroiditis. Albusta, AY; Carter, B; Fedorowicz, Z; Pijl, H; van Zuuren, EJ, 2013)	0.39
" Eligible patients will be randomly assigned to either the treatment group (bolus infusion of 2,000 μg sodium selenite immediately prior to surgery, followed by an additional dosage of 2,000 μg at ICU admission, and a further daily supplementation of 1,000 μg up to 10 days or ICU discharge) or to the control group (placebo administration at the same time points)."	( SodiUm SeleniTe Adminstration IN Cardiac Surgery (SUSTAIN CSX-trial): study design of an international multicenter randomized double-blinded controlled trial of high dose sodium-selenite administration in high-risk cardiac surgical patients. Day, A; Elke, G; Fowler, R; Fremes, S; Goetzenich, A; Haberthür, C; Heyland, DK; Lamarche, Y; Manzanares, W; McDonald, B; Meybohm, P; Rex, S; Rossaint, R; Stoppe, C; Whitlock, R, 2014)	2.06
"The SUSTAIN-CSX™ study is a multicenter trial to investigate the effect of a perioperative high dosage sodium selenite supplementation in high-risk cardiac surgical patients."	( SodiUm SeleniTe Adminstration IN Cardiac Surgery (SUSTAIN CSX-trial): study design of an international multicenter randomized double-blinded controlled trial of high dose sodium-selenite administration in high-risk cardiac surgical patients. Day, A; Elke, G; Fowler, R; Fremes, S; Goetzenich, A; Haberthür, C; Heyland, DK; Lamarche, Y; Manzanares, W; McDonald, B; Meybohm, P; Rex, S; Rossaint, R; Stoppe, C; Whitlock, R, 2014)	2.06
" The effect of source and the dosage of Se supplementation on Se in eggs and blood variables was investigated."	( Comparing responses to different selenium sources and dosages in laying hens. Delezie, E; Rovers, M; Ruttens, A; Segers, L; Van der Aa, A; Wittocx, S, 2014)	0.4
" We utilized aqueous Hg/Se dosing molar ratios that were either above, below, or equal to 1 and measured the internal nematode total Hg and Se concentrations for the highest concentrations of each Se compound."	( Antagonistic Growth Effects of Mercury and Selenium in Caenorhabditis elegans Are Chemical-Species-Dependent and Do Not Depend on Internal Hg/Se Ratios. Diringer, SE; Hsu-Kim, H; Meyer, JN; Pan, WK; Rogers, LA; Wyatt, LH, 2016)	0.43
"Long-term, high dosage protamine zinc insulin (PZI) treatments produce adverse reactions."	( Protamine zinc insulin combined with sodium selenite improves glycometabolism in the diabetic KKAy mice. Chen, L; Chen, M; Ji, W; Lu, J; Ren, S; Wang, B; Wang, M; Yan, W; Yuan, B; Zhao, M, 2016)	0.71
" In this study the toxicokinetics of Se absorption, distribution and elimination were determined in serum and whole blood of lambs that were orally dosed with increasing doses of Se as sodium selenite (inorganic Se) or selenomethionine (SeMet, organic Se)."	( Comparative oral dose toxicokinetics of sodium selenite and selenomethionine. Davis, TZ; Hall, JO; Panter, KE; Pfister, JA; Stegelmeier, BL; Tiwary, AK, 2017)	0.91
" In this study, we combined an organic selenium compound--TrxR inhibitor ethaselen (BBSKE) with low dosage sodium selenite to inhibit proliferation and induce death of NSCLC cells, and identified underlying mechanisms."	( Synergism between thioredoxin reductase inhibitor ethaselen and sodium selenite in inhibiting proliferation and inducing death of human non-small cell lung cancer cells. Dong, C; Sun, R; Xu, W; Yin, H; Zeng, H; Zheng, X, 2017)	0.91
" Based on the results, we propose that multi-supplementation of Se with low dosage is superior to single supplementation with high dosage, in terms of avoiding selenosis."	( Pharmacokinetics of Sodium Selenite in Rat Plasma and Tissues After Intragastric Administration. Fan, B; Huang, W; Jia, Z; Li, Y; Liu, G; Liu, J; Zeng, X; Zhang, X, 2020)	0.88
" Generally, offspring in the SeMet groups had higher total Se-concentrations in plasma than those from sows fed selenite, and showed a dose-response effect on plasma Se-concentrations."	( Beneficial antioxidant status of piglets from sows fed selenomethionine compared with piglets from sows fed sodium selenite. Bernhoft, A; Falk, M; Framstad, T; Fuhrmann, H; Lebed, P; Oropeza-Moe, M; Reinoso-Maset, E; Salbu, B, 2020)	0.77
" Reducing the overall dose of sorafenib through injectable dosage form to release sustainably is of therapeutically more important to combat drug-induced toxicity."	( Development of Formulation Methods and Physical Characterization of Injectable Sodium Selenite Nanoparticles for the Delivery of Sorafenib tosylate. Alam, MF; Elmobark, ME; Makeen, HA; Moni, SS; Safhi, MM; Sultan, MH, 2020)	0.79
"The novel injectable sorafenib loaded sodium selenite nanoparticle dosage form will serve better than conventional oral dosage form to elicit a safe therapeutic effect."	( Development of Formulation Methods and Physical Characterization of Injectable Sodium Selenite Nanoparticles for the Delivery of Sorafenib tosylate. Alam, MF; Elmobark, ME; Makeen, HA; Moni, SS; Safhi, MM; Sultan, MH, 2020)	1.06
"The aim of this work was to characterize the pharmacokinetics of selenite to suggest dosing strategies and to propose a study design for further investigation."	( Clinical Pharmacokinetics of Oral Sodium Selenite and Dosing Implications in the Treatment of Patients with Metastatic Cancer. Garcia-Cremades, M; Jayachandran, P; Knox, SJ; Savić, RM, 2021)	0.9
"With selenium plasma concentrations obtained from five dosing cohorts (5."	( Clinical Pharmacokinetics of Oral Sodium Selenite and Dosing Implications in the Treatment of Patients with Metastatic Cancer. Garcia-Cremades, M; Jayachandran, P; Knox, SJ; Savić, RM, 2021)	0.9
" Sodium selenite, at a dosage of 1 mg/kg/day, was administered to the selenium supplementation groups by gavage."	( Supplementation with selenium attenuates autism-like behaviors and improves oxidative stress, inflammation and related gene expression in an autism disease model. Cao, Y; Liu, S; Wang, P; Wu, H; Wu, L; Zhang, Q; Zhao, G, 2022)	1.63

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Item	Process	Frequency
Beverages	core-ingredient	8
Waters	core-ingredient	4
Meal replacements	core-ingredient	2
Meals	core-ingredient	2
Energy drink with sugar	core-ingredient	2
Energy drinks	core-ingredient	2
Minéraux alcalins et oligo-éléments	core-ingredient	1
Compléments alimentaires	core-ingredient	1
Supplement	core-ingredient	1
Groceries	core-ingredient	1
Bodybuilding supplements	core-ingredient	1
Dietary supplements	core-ingredient	1
Dried products to be rehydrated	core-ingredient	1
Dried products	core-ingredient	1
Flavored waters	core-ingredient	1
Laits	core-ingredient	1
Produits laitiers	core-ingredient	1
Dairy drinks	core-ingredient	1
Dairies	core-ingredient	1
energetyczne	core-ingredient	1
Napoje	core-ingredient	1
Bevande	core-ingredient	1

Role	Description
nutraceutical	A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
selenite salt	Salts of selenous acid.
inorganic sodium salt
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	1.6547	0.0060	38.0041	19,952.5996	AID1159521
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	3.7289	0.0010	22.6508	76.6163	AID1224838; AID1224839
progesterone receptor	Homo sapiens (human)	Potency	2.3373	0.0004	17.9460	75.1148	AID1346795
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	1.8566	0.0030	41.6115	22,387.1992	AID1159552
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	1.1817	0.0008	17.5051	59.3239	AID1159527
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	5.2325	0.0015	30.6073	15,848.9004	AID1224841; AID1259401
v-jun sarcoma virus 17 oncogene homolog (avian)	Homo sapiens (human)	Potency	5.2784	0.0578	21.1097	61.2679	AID1159526
ATPase family AAA domain-containing protein 5	Homo sapiens (human)	Potency	13.1435	0.0119	17.9420	71.5630	AID651632
Ataxin-2	Homo sapiens (human)	Potency	13.1435	0.0119	12.2221	68.7989	AID651632
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cell population proliferation	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of B cell proliferation	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
nuclear DNA replication	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
signal transduction in response to DNA damage	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
isotype switching	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of DNA replication	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of isotype switching to IgG isotypes	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA clamp unloading	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
regulation of mitotic cell cycle phase transition	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of cell cycle G2/M phase transition	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
negative regulation of receptor internalization	Ataxin-2	Homo sapiens (human)
regulation of translation	Ataxin-2	Homo sapiens (human)
RNA metabolic process	Ataxin-2	Homo sapiens (human)
P-body assembly	Ataxin-2	Homo sapiens (human)
stress granule assembly	Ataxin-2	Homo sapiens (human)
RNA transport	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
protein binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
ATP binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
ATP hydrolysis activity	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA clamp unloader activity	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
RNA binding	Ataxin-2	Homo sapiens (human)
epidermal growth factor receptor binding	Ataxin-2	Homo sapiens (human)
protein binding	Ataxin-2	Homo sapiens (human)
mRNA binding	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
Elg1 RFC-like complex	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
nucleus	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
cytoplasm	Ataxin-2	Homo sapiens (human)
Golgi apparatus	Ataxin-2	Homo sapiens (human)
trans-Golgi network	Ataxin-2	Homo sapiens (human)
cytosol	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
membrane	Ataxin-2	Homo sapiens (human)
perinuclear region of cytoplasm	Ataxin-2	Homo sapiens (human)
ribonucleoprotein complex	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID1080285	Drug level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as SeMet level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549224	Nephrotoxicity in Swiss albino mouse assessed as BUN level at 1.2 mg/kg, po after 30 days (Rvb = 21.57+/-0.92 mg/dL)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1080302	Effect on cadmium level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080308	Effect on cadmium level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L in presence of 1 mg/L CdCl2 measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080292	Drug level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as Se(IV) level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549210	Hepatotoxicity in Swiss albino mouse assessed as infiltration of mononuclear cells at 1.2 mg/kg after 30 days by histopathology analysis	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID549229	Increase of Gpx level in Swiss albino mouse liver assessed as NADPH oxidation per mg of protein at 1.2 mg/kg, po after 30 days (Rvb = 0.646+/-0.030 umol)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1080305	Drug level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080290	Drug level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as SeMetSeCys level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1167561	Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.
AID1080282	Drug level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as Se(IV) level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080293	Drug level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as SeMet level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080291	Drug level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as SeMet level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID548457	Toxicity in po dosed Swiss albino mouse	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1080280	Reduction in MDA level in Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L after 30 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080279	Protective effect against cadmium-induced toxicity in Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as chlorophyll level assessed per dry weight after 10 days after co	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080297	Drug level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as SeMetSeCys level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080277	Protective effect against cadmium-induced toxicity in Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as chlorophyll level assessed per dry weight after 40 days after co	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080289	Drug level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as SeMet level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080298	Drug level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as Se(IV) level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1167557	Cytotoxicity against mouse CCL8 cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.
AID549227	Increase of SOD level in Swiss albino mouse liver assessed per mg of protein at 1.2 mg/kg, po after 30 days (Rvb = 250.16+/-7.46 U)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1080296	Drug level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as SeMet level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID216730	Cytotoxicity activity against V79 cells	2003	Journal of medicinal chemistry, Jul-17, Volume: 46, Issue:15	Characteristics of selenazolidine prodrugs of selenocysteine: toxicity and glutathione peroxidase induction in V79 cells.
AID1080300	Effect on cadmium level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080304	Drug level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080287	Drug level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as SeMetSeCys level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549220	Toxicity in Swiss albino mouse assessed as hemoglobin level at 1.2 mg/kg, po after 30 days (Rvb = 12.56+/-0.43 gm/dL)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1080288	Drug level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as Se(IV) level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080295	Drug level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as Se(IV) level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080299	Drug level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as SeMetSeCys level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1167558	Cytotoxicity against human MDA-MB-435S cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.
AID1080307	Effect on cadmium level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L in presence of 1 mg/L CdCl2 measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080276	Effect on chlorophyll level assessed per dry weight in Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L after 40 days after compound treatment (Rvb = 181 +/- 23 mg/kg)	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080309	Drug level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L in presence of 1 mg/L CdCl2 measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549223	Hepatotoxicity in Swiss albino mouse assessed as plasma AST level at 1.2 mg/kg, po after 30 days (Rvb = 179.00+/-4.18 U/mL)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1080274	Effect on tocopherol level in Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549228	Increase of CAT level in Swiss albino mouse liver assessed per mg of protein at 1.2 mg/kg, po after 30 days (Rvb = 41.66+/-1.33 U)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1167562	Cytotoxicity against mouse MG-22A cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.
AID1080278	Effect on chlorophyll level assessed per dry weight in Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L after 10 days after compound treatment (Rvb = 200 +/- 26 mg/kg)	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080310	Drug level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L in presence of 1 mg/L CdCl2 measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549226	Induction of chromosomal aberration in Swiss albino mouse bone marrow cell at 1.2 mg/kg, po after 30 days (Rvb = 14.88+/-0.99 %)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1080286	Drug level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as Se(IV) level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080294	Drug level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L assessed as SeMetSeCys level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080311	Drug level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L in presence of 1 mg/L CdCl2 measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1167559	Cytotoxicity against human MES-SA cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.
AID1080275	Protective effect against cadmium-induced toxicity in Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as attenuation of reduction in tocopherol level after 40 days after	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080283	Drug level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as SeMet level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1080303	Drug level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549222	Hepatotoxicity in Swiss albino mouse assessed as plasma ALT level at 1.2 mg/kg, po after 30 days (Rvb = 66.00+/-4.18 U/mL)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID75284	Glutathione peroxidase activity in V79 cells at 15 uM expressed as fold induction of GPx activity to control value	2003	Journal of medicinal chemistry, Jul-17, Volume: 46, Issue:15	Characteristics of selenazolidine prodrugs of selenocysteine: toxicity and glutathione peroxidase induction in V79 cells.
AID1080284	Drug level in fruits of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as SeMetSeCys level measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549218	Increase of GSH level in Swiss albino mouse liver assessed per mg of protein at 1.2 mg/kg, po after 30 days (Rvb = 46.87+/-1.88 nmol)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1167568	Acute toxicity in po dosed rat	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.
AID1080301	Effect on cadmium level in leaves of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1167560	Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.
AID1080281	Protective effect against cadmium-induced toxicity in Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing compound at 1 mg/L in presence of 1 mg/L CdCl2 assessed as reduction in MDA level after 30 days after compound treatment by	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID549221	Hepatotoxicity in Swiss albino mouse assessed as TBARS production per mg of protein at 1.2 mg/kg, po after 30 days (Rvb = 0.26+/-0.02 nmol)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID549211	Nephrotoxicity in Swiss albino mouse assessed as infiltration of mononuclear cells at 1.2 mg/kg after 30 days by histopathology analysis	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID549230	Increase of TRxR level in Swiss albino mouse liver assessed per mg of protein at 1.2 mg/kg, po after 30 days (Rvb = 3.20+/-0.134 U)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID1080306	Effect on cadmium level in roots of Brassica oleracea (Broccoli) seedlings grown in hydroponic culture containing 1 mg/L in presence of 1 mg/L CdCl2 measured after 40 days after compound treatment	2008	Journal of agricultural and food chemistry, Jan-09, Volume: 56, Issue:1	Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.
AID1167563	Cytotoxicity against mouse NIH/3T3 cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.
AID549219	Increase of GST level in Swiss albino mouse liver assessed as CDNB-GSH conjugate per mg of protein at 1.2 mg/kg, po after 30 days (Rvb = 95.66+/-4.0 nmol/min)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
AID549225	Nephrotoxicity in Swiss albino mouse assessed as serum creatinine level at 1.2 mg/kg, po after 30 days (Rvb = 9.40+/-0.48 mg/dL)	2010	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 20, Issue:23	Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	31 (1.67)	18.7374
1990's	376 (20.30)	18.2507
2000's	642 (34.67)	29.6817
2010's	671 (36.23)	24.3611
2020's	132 (7.13)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	113 (5.81%)	5.53%
Reviews	38 (1.95%)	6.00%
Case Studies	11 (0.57%)	4.05%
Observational	0 (0.00%)	0.25%
Other	1,782 (91.67%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (15)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
Perioperative High-dose Selenium Supplementation in Patients With Left Ventricular Assist Device - a Double Blinded Randomised Controlled Trial [NCT02530788]	Phase 3	21 participants (Actual)	Interventional	2015-08-31	Completed
Effect of Parenteral and Enteral Selenium Supplementation on Trace Mineral Antioxidant Enzyme and Amino Acid Metabolism in Low Birth Weight Infants [NCT02066610]		47 participants (Actual)	Interventional	1991-03-31	Completed
A Phase 1 Study Evaluating the Efficacy and Safety of Sodium Selenite in Combination With Abiraterone in Patients With Castrate Resistant Prostate Cancer Progressing on Abiraterone [NCT04296578]	Phase 1	0 participants (Actual)	Interventional	2020-10-31	Withdrawn(stopped due to Study did not start)
Prospective, Randomized Multicenter Trial of Adjunctive Intravenous Therapy With Sodium-selenite(Selenase®, Double-blinded) and a Procalcitonin Guided Causal Therapy (Open) of Severe Sepsis or Septic Shock. [NCT00832039]	Phase 3	1,089 participants (Actual)	Interventional	2009-11-30	Completed
A Phase I Study Evaluating the Efficacy and Safety of Sodium Selenite in Combination With Palliative Radiation Therapy in Patients With Metastatic Cancer [NCT02184533]	Phase 1	15 participants (Actual)	Interventional	2014-07-31	Completed
Safety and Efficacy of High Dose Inorganic seLenium for Preventing Chemotherapy Induced pEripheral Neuropathy in platINUM Sensitive Recurrent Ovarian, Fallopian, Primary Peritoneal Cancer: Phase III Randomised Controlled Trial [NCT04201561]	Phase 3	68 participants (Anticipated)	Interventional	2019-12-24	Active, not recruiting
Effect of High Dose Selenium on Inflammation and Neurological Outcome After Cardiac Arrest: A Randomized, Double Blind Placebo Controlled Phase 2a Study [NCT01390506]	Phase 2	0 participants (Actual)	Interventional	2017-01-31	Withdrawn(stopped due to The company did not provide the study product)
Selenium and Arsenic Pharmacodynamics [NCT02377635]	Phase 1/Phase 2	40 participants (Actual)	Interventional	2015-02-10	Completed
Sodium Selenite as a Cytotoxic Agent in Advanced Carcinoma. A Phase I and Phase II Study. [NCT01959438]	Phase 1/Phase 2	32 participants (Anticipated)	Interventional	2007-02-28	Recruiting
SodiUm SeleniTe Adminstration IN Cardiac Surgery (SUSTAIN CSX®-Trial). A Multicentre Randomized Controlled Trial of High Dose Sodium-selenite Administration in High Risk Cardiac Surgical Patients [NCT02002247]	Phase 3	1,400 participants (Anticipated)	Interventional	2015-01-31	Active, not recruiting
Therapeutic Effect of Sodium Selenite on Oxidative Stress in Patients With Severe Sepsis [NCT02026856]		4 participants (Actual)	Observational	2013-12-31	Completed
A Randomized Phase II Placebo-controlled Double Blind Study of Using Selenium in the Treatment of Secondary Lymphedema in Breast Cancer Patients [NCT00188604]	Phase 2	34 participants (Anticipated)	Interventional	2004-01-31	Completed
Prospective, Multicenter, Randomized, Double-Blind, Placebo-Controlled Study Evaluating Efficacy and Safety of a Therapeutic Administration of Selenium, as Selenite, in Septic Shock Patients. [NCT00207844]	Phase 2	60 participants	Interventional	2002-01-31	Completed
Selenite in the Detoxification of Arsenic and the Prevention of Arsenical Melanosis and Cancers Amongst Bangladeshi Arsenicosis Patients: A 48-week, Randomized, Double-blinded, Placebo-controlled Phase III Trial [NCT01442727]	Phase 3	819 participants (Actual)	Interventional	2006-12-31	Completed
Peripartum Cardiomyopathy in Nigeria (PEACE) A Registry to Study the Demographics, Social and Clinical Characteristics, Pathophysiology and Outcomes of Peripartum Cardiomyopathy in Nigeria [NCT03081949]	Phase 4	100 participants (Actual)	Interventional	2017-06-12	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
acetylcarnitine Acetylcarnitine: An acetic acid ester of CARNITINE that facilitates movement of ACETYL COA into the matrices of mammalian MITOCHONDRIA during the oxidation of FATTY ACIDS.	3.14	5	0	O-acylcarnitine	human metabolite
dinitrochlorobenzene Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.. 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.	2.43	2	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
phosphoserine Phosphoserine: The phosphoric acid ester of serine.	2.04	1	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.	2.01	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	3.16	5	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.05	1	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
adenine [no description available]	2	1	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
curdlan D-hexose : A hexose that has D-configuration at position 5.	2.17	1	0	hexose
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	2.78	3	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
arsenic acid arsenic acid: RN given refers to orthoarsenic acid(H3AsO4); see also sodium arsenate. arsenic acid : An arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom.	2.95	4	0	arsenic oxoacid	Escherichia coli metabolite
betaine glycine betaine : The amino acid betaine derived from glycine.	2.42	2	0	amino-acid betaine; glycine derivative	fundamental metabolite
bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	2.43	2	0	halide anion; monoatomic bromine
butyric acid Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.	2.39	2	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
carbamates [no description available]	2.1	1	0	amino-acid anion
formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.	2.05	1	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
carnitine [no description available]	2.41	1	0	amino-acid betaine	human metabolite; mouse metabolite
methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).	2	1	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
chloroacetic acid chloroacetic acid: urinary metabolite of vinyl chloride; RN given refers to parent cpd; structure. chloroacetic acid : A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.	2.07	1	0	chlorocarboxylic acid; haloacetic acid	alkylating agent; herbicide
choline [no description available]	7.46	2	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.	5.58	6	1	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	5.42	14	1	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.	2.03	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	1.97	1	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
dihydrolipoic acid dihydrolipoic acid: RN given refers to parent cpd without isomeric designation. dihydrolipoic acid : A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects.. dihydrolipoate : The conjugate base of dihydrolipoic acid.	2	1	0	thio-fatty acid	antioxidant; human metabolite; neuroprotective agent
3-hydroxybutyric acid 3-Hydroxybutyric Acid: BUTYRIC ACID substituted in the beta or 3 position. It is one of the ketone bodies produced in the liver.. 3-hydroxybutyric acid : A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics.	3.51	1	1	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
malic acid malic acid : A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.. 2-hydroxydicarboxylic acid : Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.	1.98	1	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
hydrogen selenide hydrogen selenide: RN given refers to parent cpd	8.93	3	0	mononuclear parent hydride; selenium hydride	Escherichia coli metabolite; mouse metabolite
3,4-dihydroxyphenylacetic acid 3,4-Dihydroxyphenylacetic Acid: A deaminated metabolite of LEVODOPA.. (3,4-dihydroxyphenyl)acetic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.. dihydroxyphenylacetic acid : A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.	2.42	2	0	catechols; dihydroxyphenylacetic acid	human metabolite
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	2.52	2	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dihydrolipoamide [no description available]	2	1	0	dithiol; monocarboxylic acid amide	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.	2.92	4	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
ethanolamine [no description available]	2.39	2	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
glycine [no description available]	2.03	1	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	2.46	2	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
alpha-glycerophosphoric acid [no description available]	1.99	1	0	glycerol monophosphate	algal metabolite; human metabolite
histamine [no description available]	7.05	1	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	2.47	2	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
hydroquinone [no description available]	2	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
indoleacetic acid indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.	2.01	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge..	2	1	0	diatomic iodine	nutrient
kynurenine Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.	7.41	1	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
lipoamide Lipozyme: lipase from Rhizomucor miehei immobilized on anion exchange resin	2	1	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.	4.08	3	1	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	3.86	3	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
phytic acid Phytic Acid: Complexing agent for removal of traces of heavy metal ions. It acts also as a hypocalcemic agent.. myo-inositol hexakisphosphate : A myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated.	1.98	1	0	inositol phosphate
melatonin [no description available]	8.17	5	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
naphthalene [no description available]	2.07	1	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28.	3.5	2	0	metal allergen; nickel group element atom	epitope; micronutrient
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	2.49	2	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	4.46	22	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitric acid Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.	3.46	7	0	nitrogen oxoacid	protic solvent; reagent
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	3.53	8	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
hydroxide ion [no description available]	2.47	2	0	oxygen hydride	mouse metabolite
triphosphoric acid triphosphoric acid: used as water softener, peptizing agent, emulsifier & dispersing agent; ingredient of cleansers; meat preservative; RN given refers to parent cpd; structure	2.25	1	0	acyclic phosphorus acid anhydride; phosphorus oxoacid
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	2.03	1	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.	2.06	1	0	benzenedicarboxylic acid	human xenobiotic metabolite
propionic acid propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.	1.99	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pteridines [no description available]	2.42	2	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
putrescine [no description available]	2.02	1	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.	2.96	4	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
quinolinic acid Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan.	2.01	1	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
selenic acid Selenic Acid: A strong dibasic acid with the molecular formula H2SeO4. Included under this heading is the acid form, and inorganic salts of dihydrogen selenium tetraoxide.	11.58	159	1	selenium oxoacid
selenious acid Selenious Acid: A selenium compound with the molecular formula H2SO3. It used as a source of SELENIUM, especially for patients that develop selenium deficiency following prolonged PARENTERAL NUTRITION.	8.04	35	1	selenium oxoacid
sulfites Sulfites: Inorganic salts of sulfurous acid.. sulfites : Any sulfurous acid derivative that is a salt or an ester of sulfurous acid.. organosulfonate oxoanion : An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.. sulfite : A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).	2.72	3	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
succinic acid Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.	2.03	1	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.	2	1	0	sulfur oxoacid	catalyst
taurine [no description available]	2.71	3	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.	6.97	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	2.02	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
trimethyloxamine trimethyloxamine: used in manufacture of quaternary ammonium cpds; insect attractant; warming agent for gas; oxidant; structure. trimethylamine N-oxide : A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine.	2.03	1	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder	1.97	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.	4.69	6	1	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	4.72	6	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).	1.97	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
xanthine 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.	1.98	1	0	xanthine	Saccharomyces cerevisiae metabolite
1,2-dimethylhydrazine 1,2-Dimethylhydrazine: A DNA alkylating agent that has been shown to be a potent carcinogen and is widely used to induce colon tumors in experimental animals.. 1,2-dimethylhydrazine : A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice.	2.07	1	0	hydrazines	alkylating agent; carcinogenic agent
1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.	2.03	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
mercaptoethanol Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation.	2.69	3	0	alkanethiol; primary alcohol	geroprotector
amitrole Amitrole: A non-selective post-emergence, translocated herbicide. According to the Seventh Annual Report on Carcinogens (PB95-109781, 1994) this substance may reasonably be anticipated to be a carcinogen. (From Merck Index, 12th ed) It is an irreversible inhibitor of CATALASE, and thus impairs activity of peroxisomes.. amitrole : A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.	2.69	3	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
3-nitropropionic acid 3-nitropropionic acid: succinate dehydrogenase inactivator; biosynthesized by FABACEAE plants from ASPARAGINE. 3-nitropropanoic acid : A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.	7.21	1	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-aminopyridine [no description available]	2.01	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.	2.42	2	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-nonylphenol 4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group.	7.31	1	0	phenols	environmental contaminant
2,2'-azobis(2-amidinopropane) 2,2'-azobis(2-amidinopropane): water-soluble free-radical initiator	2.03	1	0	monoazo compound
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.	7.04	1	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
amifostine anhydrous Amifostine: A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia.. amifostine : An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy.	3.49	8	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
pimagedine pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure. aminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.	2.41	2	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.	2.94	4	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
aurintricarboxylic acid Aurintricarboxylic Acid: A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues.. aurintricarboxylic acid : A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'.	2.39	2	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.	2.39	2	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
diminazene Diminazene: An effective trypanocidal agent.. diminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.	7.06	1	0	carboxamidine; triazene derivative	antiparasitic agent; trypanocidal drug
bisindolylmaleimide i bisindolylmaleimide I: a bis(indolyl)maleimide	2	1	0
cacodylic acid dimethylarsinic acid : The organoarsenic compound that is arsenic acid substituted on the central arsenic atom with two methyl groups.	2.92	4	0	organoarsenic compound	xenobiotic metabolite
caffeine [no description available]	3.08	5	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
carmustine Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed). carmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.	2.71	3	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.	2	1	0	quaternary ammonium ion
chlorthalidone Chlorthalidone: A benzenesulfonamide-phthalimidine that tautomerizes to a BENZOPHENONES form. It is considered a thiazide-like diuretic.	1.98	1	0	isoindoles; monochlorobenzenes; sulfonamide
platinum tetrachloride platinum chloride: RN given refers to cpd with unspecified MF; structure in first source: K2PtCl; see also platinum tetrachloride. platinum dichloride : A platinum coordination entity consisting of platinum(II) bound to two chlorine atoms.	2.15	1	0	platinum coordination entity	catalyst; reagent
cycloleucine Cycloleucine: An amino acid formed by cyclization of leucine. It has cytostatic, immunosuppressive and antineoplastic activities.. 1-aminocyclopentanecarboxylic acid : A non-proteinogenic alpha-amino acid that is cyclopentane substituted at position 1 by amino and carboxy groups.	1.99	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cypermethrin cypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.. zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45.	2.05	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
cystamine [no description available]	3.25	6	0	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
deferoxamine Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator.	2.39	2	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
eflornithine Eflornithine: An inhibitor of ORNITHINE DECARBOXYLASE, the rate limiting enzyme of the polyamine biosynthetic pathway.. eflornithine : A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2.	1.97	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.	2	1	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
dimethoate Dimethoate: An organothiophosphorus cholinesterase inhibitor that is used as a systemic and contact insecticide.. dimethoate : A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.	2.08	1	0	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
diphenyleneiodonium diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor. dibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine.	2	1	0	organic cation
disulfiram [no description available]	2.72	3	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	2.41	1	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
ebselen ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.	11.9	12	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
emodin Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.	2.06	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.	2.73	3	0
ethoxyresorufin ethoxyresorufin: structure	1.99	1	0	phenoxazine
carbonyl cyanide p-trifluoromethoxyphenylhydrazone Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies.. carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group.	2.44	2	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	4.99	3	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	2.7	3	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gentamicin Gentamicins: A complex of closely related aminoglycosides obtained from MICROMONOSPORA purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit PROTEIN BIOSYNTHESIS.	2.07	1	0
2,5-dihydroxybenzoic acid 2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin. 2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.	2.17	1	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
guanidine Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines.	2.02	1	0	carboxamidine; guanidines; one-carbon compound
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.	2.08	1	0	phenanthridines	fluorochrome; intercalator
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.25	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
iodoacetamide [no description available]	2	1	0
isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.	2	1	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
letrozole [no description available]	7.21	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	2.44	2	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	7.55	2	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methyl parathion Methyl Parathion: The methyl homolog of parathion. An effective, but highly toxic, organothiophosphate insecticide and cholinesterase inhibitor.. parathion-methyl : A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4.	2.05	1	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin
metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.	3.56	1	1	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
miconazole Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.. 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.	2	1	0	dichlorobenzene; ether; imidazoles
molsidomine Molsidomine: A morpholinyl sydnone imine ethyl ester, having a nitrogen in place of the keto oxygen. It acts as NITRIC OXIDE DONORS and is a vasodilator that has been used in ANGINA PECTORIS.. molsidomine : A member of the class of oxadiazoles that is 1,2,3-oxadiazole substituted by morpholin-4-yl and (ethoxycarbonyl)azanidyl groups at positions 3 and 5, respectively. It is used as a vasodilator drug for the treatment of myocardial ischemic syndrome and congestive heart failure.	2.7	3	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	2.95	4	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
ofloxacin Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.	1.99	1	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).	2.06	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
patulin Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems.. patulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic.	2.1	1	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
pentoxifylline [no description available]	2.05	1	0	oxopurine
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	3.26	6	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
4-phenylbutyric acid 4-phenylbutyric acid: RN refers to the parent cpd. 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.	2.5	2	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
pifithrin pifithrin: a tetrahydrobenzothiazol; inhibitor of P53 that protects mice from the side effects of cancer therapy; structure in first source	2.02	1	0	aromatic ketone
pirenoxine pirenoxine: structure given in second source	2.47	2	0	organic molecular entity
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.	1.99	1	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
potassium iodide Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed). potassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals.	2.4	2	0	potassium salt	expectorant; radical scavenger
propidium Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits.	2.42	2	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
propranolol Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.	1.98	1	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protoporphyrin ix protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685. protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins.	2.06	1	0
raloxifene raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.	2.1	1	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
risperidone Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA.. risperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.	2.05	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
linsidomine linsidomine: RN given refers to parent cpd; structure	2.7	3	0	morpholines
sodium fluoride [no description available]	7.75	3	0	fluoride salt	mutagen
sodium iodide Sodium Iodide: A compound forming white, odorless deliquescent crystals and used as iodine supplement, expectorant or in its radioactive (I-131) form as an diagnostic aid, particularly for thyroid function tests.. sodium iodide : A metal iodide salt with a Na(+) counterion.	2.42	2	0	inorganic sodium salt; iodide salt
iodoacetic acid Iodoacetic Acid: A derivative of ACETIC ACID that contains one IODINE atom attached to its methyl group.. iodoacetic acid : A haloacetic acid that is acetic acid in which one of the hydrogens of the methyl group is replaced by an iodine atom.	2.03	1	0	haloacetic acid; organoiodine compound	alkylating agent
sotalol Sotalol: An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias.. sotalol : A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.	2.01	1	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
sulforaphane sulforaphane: from Cardaria draba L.. sulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.	2.44	2	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
temozolomide [no description available]	2.31	1	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
tetraethylammonium Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90)	2.01	1	0	quaternary ammonium ion
trifluoperazine [no description available]	2	1	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
urethane [no description available]	7.02	1	0	carbamate ester	fungal metabolite; mutagen
1,4-phenylenebis(methylene)selenocyanate 1,4-phenylenebis(methylene)selenocyanate: structure given in first source; inhibits DMBA-induced carcinogenesis by inhibiting DMBA-DNA adduct formation	2.91	4	0
zinc chloride zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions.	9.82	7	1	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
mitomycin Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae.	2.44	2	0	mitomycin	alkylating agent; antineoplastic agent
corticosterone [no description available]	2.04	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
alloxan Alloxan: Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate.. alloxan : A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups.	7.35	2	0	pyrimidone	hyperglycemic agent; metabolite
thymidine [no description available]	2	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
hydroxyproline Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group.	1.97	1	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.	8.06	9	2	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	2.41	2	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
penicillamine Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.. penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group.	2.72	3	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon Trichlorfon: An organochlorophosphate cholinesterase inhibitor that is used as an insecticide for the control of flies and roaches. It is also used in anthelmintic compositions for animals. (From Merck, 11th ed). trichlorfon : A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group.	1.97	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
prednisone Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.	3.42	1	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
2-acetylaminofluorene 2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines.	7.7	3	0	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
pentylenetetrazole Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.	2.43	2	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
triiodothyronine Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.	4.5	5	1	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
diethylnitrosamine Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.	3.81	11	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.	2.15	1	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	2.42	2	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	3.26	6	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4-nitroquinoline-1-oxide 4-nitroquinoline N-oxide : A quinoline N-oxide carrying a nitro substituent at position 4.	1.98	1	0	C-nitro compound; quinoline N-oxide	carcinogenic agent
glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.	3.81	3	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	2.48	2	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
cyanides Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide.	2.67	3	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
sulfamic acid sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure. sulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms.	2.07	1	0	sulfamic acids
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	7.97	4	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
9,10-dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.	3.49	8	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.	2.43	2	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
uridine [no description available]	2.41	1	0	uridines	drug metabolite; fundamental metabolite; human metabolite
galactose galactopyranose : The pyranose form of galactose.	4.32	7	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
phenylephrine Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.	2.4	2	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
edetic acid Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.	1.99	1	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2.	2.01	1	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.	2.73	3	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
cysteamine Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2.	2.42	2	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
adenosine monophosphate Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.	2.41	1	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.	2.73	3	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.	1.97	1	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
lactose Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose.	2.43	2	0	lactose
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	3.63	9	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	2.38	2	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
cycloheximide Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.	1.98	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid Egtazic Acid: A chelating agent relatively more specific for calcium and less toxic than EDETIC ACID.. ethylene glycol bis(2-aminoethyl)tetraacetic acid : A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.	2.69	3	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
sodium citrate, anhydrous Sodium Citrate: Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.. sodium citrate : The trisodium salt of citric acid.	2.05	1	0	organic sodium salt	anticoagulant; flavouring agent
mannitol [no description available]	3.28	6	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine [no description available]	2.08	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
dithionitrobenzoic acid Dithionitrobenzoic Acid: A standard reagent for the determination of reactive sulfhydryl groups by absorbance measurements. It is used primarily for the determination of sulfhydryl and disulfide groups in proteins. The color produced is due to the formation of a thio anion, 3-carboxyl-4-nitrothiophenolate.. dithionitrobenzoic acid : An organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups.	3.11	5	0	nitrobenzoic acid; organic disulfide	indicator
2-thiomalic acid [no description available]	2	1	0	C4-dicarboxylic acid
histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.	2.55	2	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	2.4	2	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	2.21	1	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges	2.04	1	0	alkene; gas molecular entity	plant hormone; refrigerant
tert-butylhydroperoxide tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.	2.94	4	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
trifluoroacetic acid Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid.	2.01	1	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.	1.97	1	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
3-mercaptopropionic acid 3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.. 3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.	2.08	1	0	mercaptopropanoic acid	algal metabolite
trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups.	2.01	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	2.17	1	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
methylprednisolone Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.. 6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.	2.06	1	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
rotenone Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.	2.44	2	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
diquat Diquat: A contact herbicide used also to produce desiccation and defoliation. (From Merck Index, 11th ed). diquat : The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide.	1.97	1	0	organic cation	defoliant; herbicide
2,6-xylidine 2,6-xylidine: RN given refers to parent cpd. 2,6-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic).	2.1	1	0	dimethylaniline; primary arylamine	carcinogenic agent; drug metabolite
xylitol xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues.	2.07	1	0
2-naphthylamine 2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.	2.43	2	0	naphthylamine	carcinogenic agent
xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.	2.41	2	0	xanthene
4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.	2.45	2	0	butan-4-olide	metabolite; neurotoxin
pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration.	2.39	2	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
terephthalic acid terephthalic acid: RN given refers to 1,4-benzenedicarboxylic acid. terephthalic acid : A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids.	2.07	1	0	benzenedicarboxylic acid
phenylhydrazine [no description available]	2.21	1	0	phenylhydrazines	xenobiotic
boric acid [no description available]	2	1	0	boric acids	astringent
3,5-dimethylaniline 3,5-dimethylaniline: structure in first source	2.1	1	0
thiophenol thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group.	2.03	1	0	aryl thiol
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	2.43	2	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
dicofol Dicofol: An organochlorine insecticide.. dicofol : A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group.	1.97	1	0	monochlorobenzenes; organochlorine acaricide; tertiary alcohol
diethylhexyl phthalate Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.	2.75	3	0	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
framycetin Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.	2.13	1	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
sodium cyanide Sodium Cyanide: A highly poisonous compound that is an inhibitor of many metabolic processes and is used as a test reagent for the function of chemoreceptors. It is also used in many industrial processes.. sodium cyanide : A cyanide salt containing equal numbers of sodium cations and cyanide anions.	2.01	1	0	cyanide salt; one-carbon compound; sodium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor
tetraphenylborate Tetraphenylborate: An anionic compound that is used as a reagent for determination of potassium, ammonium, rubidium, and cesium ions. It also uncouples oxidative phosphorylation and forms complexes with biological materials, and is used in biological assays.	2.05	1	0
monomethylarsonic acid monomethylarsonic acid: structure given in first source	2.92	4	0	arsonic acids; one-carbon compound; organoarsonic acid
pregnenolone [no description available]	1.98	1	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
3-o-methylglucose 3-O-Methylglucose: A non-metabolizable glucose analogue that is not phosphorylated by hexokinase. 3-O-Methylglucose is used as a marker to assess glucose transport by evaluating its uptake within various cells and organ systems. (J Neurochem 1993;60(4):1498-504). 3-O-methyl-D-glucose : A D-aldohexose that is D-glucose in which the hydrogen of the hydroxy group at position 3 has been substituted by a methyl group. It is a non-metabolisable glucose analogue that is not phosphorylated by hexokinase and is used as a marker to assess glucose transport by evaluating its uptake within various cells and organ systems.	2.02	1	0	D-aldohexose derivative
ditiocarb Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.	2.92	4	0	dithiocarbamic acids	chelator; copper chelator
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt 1,2-Dihydroxybenzene-3,5-Disulfonic Acid Disodium Salt: A colorimetric reagent for iron, manganese, titanium, molybdenum, and complexes of zirconium. (From Merck Index, 11th ed)	2.01	1	0	organic molecular entity
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	7.47	2	0	catechin	antioxidant; plant metabolite
acridines Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.	2.4	2	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	2.41	2	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
thiazoles [no description available]	3.26	6	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	2.46	2	0	diazine; pyrazines	Daphnia magna metabolite
triphenyltetrazolium triphenyltetrazolium: RN given refers to parent cpd. 2,3,5-triphenyltetrazolium : An organic cation that is tetrazole carrying three phenyl substituents at positions 2, 3 and 5.	2.05	1	0	organic cation
azacitidine Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.	2.01	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
aminoimidazole carboxamide Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.. 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.	2.11	1	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
citrulline citrulline : The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.	2	1	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
limestone Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3.	2.52	2	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
fusarium Fusarium: A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA.	2.95	4	0
salicylurate salicylurate: RN given refers to parent cpd. salicyluric acid : An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.. salicylurate : A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	1.97	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
kainic acid Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose.	2.03	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
butenolide butenolide: inhibits experimental allergic encephalomyelitis in rats. butenolide : A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives.	2.45	2	0	butenolide
isomaltose [no description available]	2.41	1	0
phorone phorone: an industrial solvent; structure	1.97	1	0	dialkenyl ketone
thiazolidines Thiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES.	2.39	2	0	thiazolidine
hesperidin Hesperidin: A flavanone glycoside found in CITRUS fruit peels.. hesperidin : A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.	2.57	2	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
luminol Luminol: 5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations.	2.42	2	0
gluconic acid gluconic acid: zinc gluconate has anti-inflammatory activity; RN given refers to (D)-isomer; all RRs refers to (D)-isomer unless otherwise noted. ketogluconic acid : A gluconic acid that contains a ketonic carbonyl group.. D-gluconic acid : A gluconic acid having D-configuration.	2.55	2	0	gluconic acid	chelator; Penicillium metabolite
copper gluconate Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters.	2.55	2	0	organic molecular entity
cellobiose beta-cellobiose : A cellobiose with beta configuration at the reducing-end glucose residue.	2.41	1	0	cellobiose	epitope
tropolone Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).. tropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii.	2.03	1	0	alpha-hydroxy ketone; cyclic ketone; enol	bacterial metabolite; fungicide; toxin
methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.	2.08	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	8.88	96	6	dialdehyde	biomarker
cadmium acetate cadmium acetate: RN given refers to parent cpd	1.98	1	0
magnesium carbonate magnesium carbonate: RN given refers to parent cpd (1:1). magnesium carbonate : A magnesium salt with formula CMgO3. Its hydrated forms, particularly the di-, tri-, and tetrahydrates occur as minerals.	2.07	1	0	carbonate salt; magnesium salt; one-carbon compound; organic magnesium salt	antacid; fertilizer
lithium carbonate Lithium Carbonate: A lithium salt, classified as a mood-stabilizing agent. Lithium ion alters the metabolism of BIOGENIC MONOAMINES in the CENTRAL NERVOUS SYSTEM, and affects multiple neurotransmission systems.	2.1	1	0	carbonate salt; lithium salt	antimanic drug
siderite ferrous carbonate : A carbonate salt in which the counter-ion is iron in the +2 oxidation state.	2.46	2	0	carbonate mineral; carbonate salt; iron molecular entity; one-carbon compound
3-hydroxyflavone 3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.	2.05	1	0	flavonols; monohydroxyflavone
allyl sulfide allyl sulfide: essence of garlic; inhibits CYP2E1	2.01	1	0	organic sulfide
dimethyl mercury [no description available]	2.48	2	0	methylmercury compound
dimethylselenide dimethylselenide: RN given refers to unlabeled cpd. dimethylselenide : An organoselenium compound of two methyl groups covalently bound to a selenium.	3.62	9	0	organoselenium compound	bacterial xenobiotic metabolite; plant metabolite
manganese carbonate [no description available]	2.07	1	0
2-anthramine 2-anthramine: structure	1.99	1	0	anthracenamine
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	6.45	23	2	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
brilliant green brilliant green: RN given refers to sulfate; structure in Merck Index, 9th ed, #1378. brilliant green : An organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion.	2	1	0	organic hydrogensulfate salt	antibacterial agent; antiseptic drug; environmental contaminant; fluorochrome; histological dye; poison
dibutyldichlorotin [no description available]	2.03	1	0
methylnitrosourea Methylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-methyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups.	7.91	4	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
ethylnitrosourea Ethylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-ethyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups.	7.41	2	0	N-nitrosoureas	alkylating agent; carcinogenic agent; genotoxin; mutagen
n-nitrosodiethanolamine [no description available]	2.01	1	0	nitroso compound
tetramethylpyrazine tetramethylpyrazine: found in Ligusticum chuanxiong. tetramethylpyrazine : A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii).	7.06	1	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
citiolone citiolone: RN given refers to cpd without isomeric designation; structure	1.99	1	0	N-acyl-amino acid
cadmium sulfide [no description available]	2.08	1	0	cadmium molecular entity
sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)	3.13	5	0	alkali metal hydroxide
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	2.08	1	0	zinc molecular entity
ferrous sulfide ferrous sulfide: RN given refers to cpd with MF of Fe-S; mackinawite & troilite both have MF Fe-S	2.44	2	0
arsenic trioxide Arsenic Trioxide: An inorganic compound with the chemical formula As2O3 that is used for the treatment of ACUTE PROMYELOCYTIC LEUKEMIA in patients who have relapsed from, or are resistant to, conventional drug therapy.	3.14	5	0
ferrous oxide [no description available]	2.04	1	0	iron oxide
glycyrrhizic acid glycyrrhizinic acid : A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid.	1.99	1	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.	11.06	77	14	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
tocopherols [no description available]	3.78	2	1
selenomethionine [no description available]	13.18	178	9	selenoamino acid; selenomethionines	plant metabolite
selenocystine selenocystine: RN given refers to parent cpd; structure	4.03	14	0	diselenide; selenoamino acid
2,4-dinitrothiocyanatobenzene 2,4-dinitro-1-thiocyanatobenzene : A thiocyanate compound having a 2,4-dinitrophenyl group attached to the sulfur atom.	2.05	1	0	C-nitro compound; thiocyanates	hapten; tolerogen
diphenyldiselenide diphenyldiselenide: structure given in first source	2.1	1	0
5-chlorouracil 5-chlorouracil : An organochlorine compound consisting of uracil having an chloro substituent at the 5-position.	1.97	1	0	organochlorine compound
paraquat Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.	2.42	2	0	organic cation	geroprotector; herbicide
methionine sulfoximine methionine sulfoximine : A non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine .	2.89	4	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
amiloride Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705). amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.	7.43	2	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
diallyl disulfide diallyl disulfide: major constituent of garlic oil. diallyl disulfide : An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium.	1.99	1	0	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
benzyl thiocyanate benzyl thiocyanate: increases activities of anhydrotetracycline oxygenase	2.38	2	0	thiocyanates
2,2-bis(bromomethyl)-1,3-propanediol 2,2-bis(bromomethyl)-1,3-propanediol: structure given in first source	2.31	1	0	primary alcohol
dithiothreitol 1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.	3.88	12	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
carbonates Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.	3.01	4	0	carbon oxoanion
mono-(2-ethylhexyl)phthalate mono-(2-ethylhexyl)phthalate: RN given refers to parent cpd. mono(2-ethylhexyl) phthalate : The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.	2.75	3	0	phthalic acid monoester
buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.	3.6	9	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
maleic hydrazide Maleic Hydrazide: 1,2-Dihydro-3,6-pyridazinedione. A herbicide and plant growth regulator; also used to control suckering of tobacco. Its residue in food and tobacco is highly toxic, causing CNS disturbances and liver damage.	7.4	2	0	pyridazinone
dimethyldiselenide dimethyldiselenide: volatile selenium metabolite. dimethyl diselenide : An organoselenium compound that is diselane covalently bound to two methyl groups. It has been detected in onion-family vegetables and soft-necked garlics. It induces ER stress and toxic protein aggregation in the budding yeast, S. cerevisiae and used as a reagent to identify distonic radical cations.	2.96	4	0	organoselenium compound	bacterial metabolite; human xenobiotic metabolite; mammalian metabolite; plant metabolite
3,3'-diselenodipropionic acid 3,3'-diselenodipropionic acid: a free radical scavenger; structure in first source	2.03	1	0
manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.	3.53	8	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.	4.73	29	0	elemental mercury; zinc group element atom	neurotoxin
molybdenum Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase.	3.52	8	0	chromium group element atom	micronutrient
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	2.05	1	0	metal allergen; nickel group element atom; platinum group metal atom
platinum Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae.	2	1	0	elemental platinum; nickel group element atom; platinum group metal atom
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	3.09	4	0	copper group element atom; elemental silver	Escherichia coli metabolite
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	1.99	1	0	titanium group element atom
tungsten Tungsten: A metallic element with the atomic symbol W, atomic number 74, and atomic weight 183.85. It is used in many manufacturing applications, including increasing the hardness, toughness, and tensile strength of steel; manufacture of filaments for incandescent light bulbs; and in contact points for automotive and electrical apparatus.	2.41	2	0	chromium group element atom	micronutrient
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	4.71	28	0	cadmium molecular entity; zinc group element atom
cerium Cerium: An element of the rare earth family of metals. It has the atomic symbol Ce, atomic number 58, and atomic weight 140.12. Cerium is a malleable metal used in industrial applications.	7.07	1	0	f-block element atom; lanthanoid atom
chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24.	2.96	4	0	chromium group element atom; metal allergen	micronutrient
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	2.4	2	0	copper group element atom; elemental gold
vanadium Vanadium: A metallic element with the atomic symbol V, atomic number 23, and atomic weight 50.94. It is used in the manufacture of vanadium steel. Prolonged exposure can lead to chronic intoxication caused by absorption usually via the lungs.	2.46	2	0	elemental vanadium; vanadium group element atom	micronutrient
aluminum chloride Aluminum Chloride: A compound with the chemical formula AlCl3; the anhydrous salt is used as a catalyst in organic chemical synthesis, and hydrated salts are used topically as antiperspirants, and for the management of HYPERHYDROSIS.	2.08	1	0	aluminium coordination entity	Lewis acid
cupric chloride cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state.	2	1	0	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
zalcitabine Zalcitabine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy.. zalcitabine : A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase.	2.06	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
mercuric chloride Mercuric Chloride: Mercury chloride (HgCl2). A highly toxic compound that volatizes slightly at ordinary temperature and appreciably at 100 degrees C. It is corrosive to mucous membranes and used as a topical antiseptic and disinfectant.. mercury dichloride : A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed.	4.66	27	0	mercury coordination entity	sensitiser
selenium disulfide [no description available]	2.08	1	0	sulfide salt
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	2.41	2	0	D-galactosamine; primary amino compound	toxin
hypochlorous acid Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water.	1.99	1	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.02	1	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
ferric chloride ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents	2.08	1	0	iron coordination entity	astringent; Lewis acid
ferrous sulfate ferrous sulfate: Ferro-Gradumet is ferrous sulfate in controlled release form; RN given refers to Fe(+2)[1:1] salt. iron(2+) sulfate (anhydrous) : A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC.	2.04	1	0	iron molecular entity; metal sulfate	reducing agent
zinc sulfate Zinc Sulfate: A compound given in the treatment of conditions associated with zinc deficiency such as acrodermatitis enteropathica. Externally, zinc sulfate is used as an astringent in lotions and eye drops. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1995). zinc sulfate : A metal sulfate compound having zinc(2+) as the counterion.	8.41	7	0	metal sulfate; zinc molecular entity	fertilizer
chromates Chromates: Salts of chromic acid containing the CrO(2-)4 radical.. chromate(2-) : A chromium oxoanion resulting from the removal of two protons from chromic acid.	3.11	5	0	chromium oxoanion; divalent inorganic anion	oxidising agent
copper sulfate Copper Sulfate: A sulfate salt of copper. It is a potent emetic and is used as an antidote for poisoning by phosphorus. It also can be used to prevent the growth of algae.. copper(II) sulfate : A metal sulfate compound having copper(2+) as the metal ion.	3.11	5	0	metal sulfate	emetic; fertilizer; sensitiser
tungstate [no description available]	2.92	4	0	divalent inorganic anion; tungsten oxoanion
silver nitrate Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM.	2	1	0	inorganic nitrate salt; silver salt	astringent
calcium sulfate Calcium Sulfate: A calcium salt that is used for a variety of purposes including: building materials, as a desiccant, in dentistry as an impression material, cast, or die, and in medicine for immobilizing casts and as a tablet excipient. It exists in various forms and states of hydration. Plaster of Paris is a mixture of powdered and heat-treated gypsum.	2.52	2	0	calcium salt; inorganic calcium salt
potassium dichromate Potassium Dichromate: Chromic acid (H2Cr2O7), dipotassium salt. A compound having bright orange-red crystals and used in dyeing, staining, tanning leather, as bleach, oxidizer, depolarizer for dry cells, etc. Medically it has been used externally as an astringent, antiseptic, and caustic. When taken internally, it is a corrosive poison.. potassium dichromate : A potassium salt that is the dipotassium salt of dichromic acid.	2.71	3	0	potassium salt	allergen; oxidising agent; sensitiser
nitrous acid Nitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed)	1.99	1	0	nitrogen oxoacid
potassium chromate(vi) potassium chromate(VI): RN given refers to cpd with MF of K2-CrH2O4. potassium chromate : A potassium salt consisting of potassium and chromate ions in a 2:1 ratio.	2.06	1	0	potassium salt	carcinogenic agent; oxidising agent
molybdate ion molybdate : A divalent inorganic anion obtained by removal of both protons from molybdic acid	3.26	6	0	divalent inorganic anion; molybdenum oxoanion	Escherichia coli metabolite
galactose aldohexose : A hexose with a (potential) aldehyde group at one end.	2.01	1	0
lead nitrate lead nitrate: RN given refers to unspecified lead nitrate	3.02	4	0	inorganic nitrate salt; lead coordination entity
tellurous acid tellurous acid: tellurite anion inhibits oxidation of NAD-linked substrates in kidney & liver mitochondria; RN given refers to parent cpd	4.47	22	0	tellurium oxoacid
cadmium chloride Cadmium Chloride: A cadmium halide in the form of colorless crystals, soluble in water, methanol, and ethanol. It is used in photography, in dyeing, and calico printing, and as a solution to precipitate sulfides. (McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). cadmium dichloride : A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding.	4.38	20	0	cadmium coordination entity
cadmium sulfate cadmium sulfate: RN given refers to cpd with MF of Cd-H2SO4	2.02	1	0	cadmium salt
cobalt sulfate cobalt sulfate: RN given refers to parent cpd. cobalt(2+) sulfate : A compound of cobalt and sulfate in which the ratio of cobalt (+2 oxidation state) to sulfate is 1:1.	3.53	1	1	metal sulfate
barium chloride barium chloride: RN given refers to parent cpd. barium chloride : The inorganic dichloride salt of barium.	1.98	1	0	barium salt; inorganic chloride	potassium channel blocker
ferric nitrate ferric nitrate: RN given refers to Fe(+3) salt	1.99	1	0
carbendazim carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables.	2.1	1	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
chrysotile Asbestos, Serpentine: A type of asbestos that occurs in nature as the dihydrate of magnesium silicate. It exists in two forms: antigorite, a plated variety, and chrysotile, a fibrous variety. The latter makes up 95% of all asbestos products. (From Merck Index, 11th ed, p.893)	2.91	4	0
2',3-dimethyl-4-aminobiphenyl 2',3-dimethyl-4-aminobiphenyl: RN given refers to parent cpd; structure	2	1	0
sodium selenate sodium selenate : An inorganic sodium salt having selenate as the counterion.	2.01	1	0	inorganic sodium salt	anticonvulsant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; fertilizer
nickel carbonyl nickel carbonyl: RN given refers to cpd with MF of Ni-(CO)4; structure	2.06	1	0	metal carbonyl; nickel coordination entity
tetrathionic acid Tetrathionic Acid: A sulfuric acid dimer, formed by disulfide linkage. This compound has been used to prolong coagulation time and as an antidote in cyanide poisoning.	2.39	2	0	sulfur oxoacid
tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.	3.5	8	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
fluorides [no description available]	2.73	3	0	halide anion; monoatomic fluorine
calcium dobesilate Calcium Dobesilate: A drug used to reduce hemorrhage in diabetic retinopathy.	2.97	1	0
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	2.07	1	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
mercuric oxide mercuric oxide: RN given refers to cpd with MF of Hg-O	7.38	2	0
fenitrothion Fenitrothion: An organothiophosphate cholinesterase inhibitor that is used as an insecticide.. fenitrothion : An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4.	2.17	1	0	C-nitro compound; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	3.11	5	0	benzenes; phenyl acetates
tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.	2.01	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
ursodeoxycholic acid Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	2.07	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
8-bromo cyclic adenosine monophosphate 8-Bromo Cyclic Adenosine Monophosphate: A long-acting derivative of cyclic AMP. It is an activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.. 8-Br-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP bearing an additional bromo substituent at position 8 on the adenine ring. An activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.	2.39	2	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
dihydroxyethyldithiocarbamate dihydroxyethyldithiocarbamate: mobilizes metallothionein-bound cadmium from tissue; increases biliary excretion of cadmium in rats	2.05	1	0
transferrin Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states.	4.37	20	0
alkenes [no description available]	1.98	1	0
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.73	3	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
azoxymethane Azoxymethane: A potent carcinogen and neurotoxic compound. It is particularly effective in inducing colon carcinomas.	2.43	2	0
vanadyl sulfate [no description available]	2.11	1	0	metal sulfate; vanadium coordination entity
nigericin Nigericin: A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. (From Merck Index, 11th ed). nigericin : A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus.	2.05	1	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
acetylgalactosamine Acetylgalactosamine: The N-acetyl derivative of galactosamine.	2.42	2	0	N-acetyl-D-hexosamine; N-acetylgalactosamine	Escherichia coli metabolite; human metabolite; mouse metabolite
proroxan proroxan: Russian drug; RN given refers to parent cpd; structure	2.05	1	0
lentinan [no description available]	2.11	1	0
phorbol 12,13-dibutyrate Phorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems.	2.39	2	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.	2	1	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
deoxynivalenol deoxynivalenol : A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.	7.87	3	0	cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol	mycotoxin
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available]	2.93	4	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
nitrosobis(2-oxopropyl)amine nitrosobis(2-oxopropyl)amine: structure. nitrosobis(2-oxopropyl)amine : A nitrosamine that is iminodiacetone that is substituted by a nitroso group at the N-atom. It induces pancreatic ductal adenocarcinomas in Syrian golden hamsters (other rodents are not susceptible).	6.98	1	0	ketone; nitrosamine	carcinogenic agent
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone: structure; from tobacco smoke	1.98	1	0	nitrosamine; pyridines
fenpropathrin, (+-)-isomer fenpropathrin: RN given refers to cpd without isomeric designation. fenpropathrin : A cyclopropanecarboxylate ester obtained by formal condensation between 2,2,3,3-tetramethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol.	2.31	1	0	aromatic ether; cyclopropanecarboxylate ester	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	1.98	1	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	2.48	2	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
ferric citrate ferric citrate: RN given refers to Fe(+3)[1:1] salt. iron(III) citrate : An iron chelate resulting from the combination of iron(3+) and citrate(3-).	2.03	1	0	iron chelate	anti-anaemic agent; nutraceutical
vanadates Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.	2.46	2	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
dimethylhydrazines Dimethylhydrazines: Hydrazines substituted with two methyl groups in any position.	2.43	2	0
acridine orange Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination.	2.43	2	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
trazodone hydrochloride Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride.	4	13	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.	2.61	2	0	D-glucopyranose	epitope; mouse metabolite
anisodamine anisodamine: alkaloid isolated from Chinese solanacea plant	1.97	1	0
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	2.72	3	0	organic bromide salt	colorimetric reagent; dye
baicalin [no description available]	2.17	1	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
thionine thionine: do not confuse with the thionins which is a class of polypeptides; RN above is for the chloride;. thionine : An organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS.	2.05	1	0
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	2.08	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
10,10'-dimethyl-9,9'-biacridinium 10,10'-dimethyl-9,9'-biacridinium: chemoluminescent probe; RN given refers to dinitrate; Lucigenin refers to dinitrate	2.4	2	0
aica ribonucleotide AICA ribonucleotide: purine precursor that has antineoplastic activity. AICA ribonucleotide : A 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative.	2.11	1	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
metaperiodate Periodic Acid: A strong oxidizing agent.	2	1	0	iodine oxoacid
neocuproine neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd. neocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.	2	1	0	phenanthrolines	chelator; copper chelator
fluorophosphate fluorophosphate: inhibits Phosphorylas phosphatase irreversibly; RN given refers to parent cpd	2.07	1	0	fluorine molecular entity; phosphoric acid derivative
2-oxothiazolidine-4-carboxylic acid 2-oxothiazolidine-4-carboxylic acid: analog of 5-oxoproline in which the 4-methylene moiety is replaced by sulfur; acts as 5-oxo-L-prolinase substrate; structure in first source; RN given refers to parent cpd without isomeric designation; Procysteine is a trade name	2.39	2	0
peroxynitric acid [no description available]	2.91	4	0	nitrogen oxoacid
glutathione disulfide Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.	5.11	10	1	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
selenium tetrachloride [no description available]	2.38	2	0
anthraquinone-2,6-disulfonate anthraquinone-2,6-disulfonate: structure in first source. anthraquinone-2,6-disulfonic acid : A member of the class of anthraquinones that is 9,10-anthraquinone substituted at positions 2 and 6 by sulfo groups.	2.03	1	0	anthraquinone; arenesulfonic acid
1,7-phenanthroline [no description available]	2	1	0	phenanthroline
diazobenzenesulfonic acid diazobenzenesulfonic acid: RN given refers to parent cpd; structure	2	1	0
1,2-dithiol-3-thione 1,2-dithiol-3-thione: has antioxidant activity; structure given in first source	2.11	1	0	1,2-dithiole
2,3-diaminonaphthalene [no description available]	2.43	2	0
secnidazole [no description available]	3.56	1	1	C-nitro compound; imidazoles; secondary alcohol	epitope
hesperetin [no description available]	2.11	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
methotrimeprazine Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.	2.05	1	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
ceric oxide ceric oxide: RN given refers to cpd with MF CeO2. ceric oxide : A metal oxide with formula CeO2. It is used for polishing glass, in coatings for infra-red filters to prevent reflection, and as an oxidant and catalyst in organic synthesis.	2.07	1	0	cerium molecular entity; metal oxide
sodium selenide [no description available]	2.39	2	0	inorganic sodium salt	poison; reducing agent
1,3-diethyl-2-thiobarbituric acid 1,3-diethyl-2-thiobarbituric acid: used in urinary test for smoking	2.05	1	0
propagermanium propagermanium: inhibits the calcium inward currents & the potassium outward currents	1.99	1	0	organogermanium compound
biocytin biocytin : A monocarboxylic acid amide that results from the formal condensation of the carboxylic acid group of biotin with the N(6)-amino group of L-lysine.	2.01	1	0	azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas	mouse metabolite
bromates Bromates: Negative ions or salts derived from bromic acid, HBrO3.	2	1	0	bromine oxoanion; monovalent inorganic anion
coenzyme a [no description available]	2	1	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	6.98	1	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
fibrinogen Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.	2.08	1	0	iditol	fungal metabolite
homocysteine Homocysteine: A thiol-containing amino acid formed by a demethylation of METHIONINE.. homocysteine : A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.. L-homocysteine : A homocysteine that has L configuration.	2	1	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
trimethylselenonium trimethylselenonium: product of selenite metabolism in rats; RN given refers to parent cpd. trimethylselenonium : An organic cation consisting of three methyl groups covalently bound to a central selenium atom.	4.92	8	1	organic cation	human xenobiotic metabolite
1-cyano-2-hydroxy-3-butene [no description available]	1.98	1	0	secondary alcohol
pyrimidine dimers Pyrimidine Dimers: Dimers found in DNA chains damaged by ULTRAVIOLET RAYS. They consist of two adjacent PYRIMIDINE NUCLEOTIDES, usually THYMINE nucleotides, in which the pyrimidine residues are covalently joined by a cyclobutane ring. These dimers block DNA REPLICATION.	2.01	1	0
dibenzyl diselenide dibenzyl diselenide: structure given in first source	1.99	1	0
poly-o-acetylserine O-acetylserine: RN given refers to (DL)-isomer. O-acetyl-L-serine : An acetyl-L-serine where the acetyl group is attached to the side-chain oxygen. It is an intermediate in the biosynthesis of the amino acid cysteine in bacteria.	2	1	0	acetate ester; acetyl-L-serine; amino acid zwitterion	bacterial metabolite; Saccharomyces cerevisiae metabolite
benzyl selenocyanate benzyl selenocyanate: prevents colon carcinogenesis	2.67	3	0
cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27.	4.8	7	1	cobalt group element atom; metal allergen	micronutrient
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid 1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid: structure in first source	2.42	2	0	polyamino carboxylic acid; tetracarboxylic acid	chelator
eudragit rl [no description available]	2.05	1	0
s-nitrosoglutathione [no description available]	2.15	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
diacetyldichlorofluorescein diacetyldichlorofluorescein: stable storage form of dichlorofluorescein	2.01	1	0
cyfluthrin cyfluthrin: effective against mosquitoes. cyfluthrin : A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile.	2.1	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide
eudragit rs Eudragit RS: copolymer of acrylic & methacrylic acid esters & quaternary ammonium groups; used for microcapsules	2.05	1	0
fluo-3 Fluo-3: fluorescent Ca(2+) indicator; permits continuous monitoring of Ca without interference with use of UV-sensitive caged compounds	2.01	1	0	xanthene dye	fluorochrome
selenomethionine [no description available]	2.01	1	0	amino acid zwitterion; selenomethionine	plant metabolite
cyanates Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).	3.38	7	0
1,1'-ethylidene bis(tryptophan) 1,1'-ethylidene bis(tryptophan): may be associated with eosinophilla-myalgia syndrome; structure given in first source	1.99	1	0
22-hydroxycholesterol [no description available]	1.98	1	0	cholanoid
procyanidin Proanthocyanidins: Dimers and oligomers of flavan-3-ol units (CATECHIN analogs) linked mainly through C4 to C8 bonds to leucoanthocyanidins. They are structurally similar to ANTHOCYANINS but are the result of a different fork in biosynthetic pathways.	2.44	2	0	proanthocyanidin
phosphites Phosphites: Inorganic salts or organic esters of phosphorous acid that contain the (3-)PO3 radical. (From Grant & Hackh's Chemical Dictionary, 5th ed). phosphite(3-) : A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid.	2.07	1	0	phosphite ion; trivalent inorganic anion
s-methylthiocitrulline S-methylthiocitrulline: a nitric oxide synthase inhibitor; structure in first source. S-methyl-L-thiocitrulline : An L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group.	2	1	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
n-nitroso-n(2)-fluorenylacetamide [no description available]	1.98	1	0
3-(phenylamino)alanine 3-(phenylamino)alanine: structure given in second source	1.99	1	0
selenodiglutathione selenodiglutathione : A thioselenide in which a selenium atom is attached to the sulfur atoms of two molecules of glutathione. It is an initial metabolite of selenite, SeO3(2-).	4.9	11	0	glutathione derivative; thioselenide	Escherichia coli metabolite; metabolite
selenomethylselenocysteine selenomethylselenocysteine: RN given refers to parent cpd	7.52	23	1	non-proteinogenic alpha-amino acid; selenocysteines	antineoplastic agent; human metabolite
monochlorobimane monochlorobimane: marker for glutathione	2.15	1	0	organochlorine compound; pyrazolopyrazole	fluorochrome
selenocystamine selenocystamine: RN given refers to parent cpd; structure	3.1	5	0	organoselenium compound
ginsenoside rh2 ginsenoside Rh2: from leaves of Panax ginseng C; structure given in first source. (20S)-ginsenoside Rh2 : A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.	7.13	1	0	12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite
tris(2-carboxyethyl)phosphine tris(2-carboxyethyl)phosphine: water-soluble reagent which irreversibly reduces disulfides to thiols at room temperature & is active below neutral pH; used for quantitation of iodine and iodate. TCEP : A tertiary phosphine in which phosphane is substituted with three 2-carboxyethyl groups. It is a commonly used reducing agent.	2.02	1	0	phosphine derivative; tricarboxylic acid	reducing agent
ah 6809 6-isopropoxy-9-oxoxanthene-2-carboxylic acid: structure given in UD	1.99	1	0	xanthones
fluorescein 5-maleimide [no description available]	2.05	1	0
peroxynitrous acid Peroxynitrous Acid: A potent oxidant synthesized by the cell during its normal metabolism. Peroxynitrite is formed from the reaction of two free radicals, NITRIC OXIDE and the superoxide anion (SUPEROXIDES).	2.05	1	0	nitrogen oxoacid
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone 1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone: structure given in first source. 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one : A differentiation-inducing factor that is hexaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells.	2.01	1	0	dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols	eukaryotic metabolite; signalling molecule
e 64 E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-)	1.97	1	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
dihydroethidium dihydroethidium: RN given is for the (+-)-isomer	2.08	1	0
xylose xylopyranose: structure in first source	1.97	1	0	D-xylose
proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.	2.05	1	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
triphenylselenonium chloride triphenylselenonium chloride: possesses significant chemopreventive activity against chemically-induced mammary carcinogenesis	1.98	1	0
selenomethylselenocysteine Se-methylselenocysteine : An alpha-amino acid compound having methylselanylmethyl as the side-chain.. Se-methyl-L-selenocysteine : An L-alpha-amino acid compound having methylselanylmethyl as the side-chain.	2.01	1	0	amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine	antineoplastic agent
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.	2.06	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
mn(iii) 5,10,15,20-tetrakis(n-methylpyridinium-2-yl)porphyrin [no description available]	2.03	1	0
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.	1.98	1	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	7.94	4	0	oxygen hydride; oxygen radical; reactive oxygen species
zinc selenite [no description available]	2	1	0
methylselenic acid methylseleninic acid : An organoselenium compound that is seleninic acid in which the hydrogen attached to selenium is replaced by a methyl group.	5.41	18	0	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite
bactenecin bactenecin: from bovine neutrophils	2.21	1	0
metaperiodate metaperiodate: RN given refers to periodic acid, Na salt; structure. periodate : A monovalent inorganic anion obtained by deprotonation of periodic acid.	2	1	0	iodine oxoanion; monovalent inorganic anion
thiophosphoric acid thiophosphoric acid: RN given refers to parent cpd	2.42	2	0	phosphorothioic acid
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	2.01	1	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
aflatoxin b1 Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.	4.09	14	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
sorafenib [no description available]	7.25	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
cholic acid Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.	1.98	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
deoxycholic acid Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.	6.99	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
3-nitrotyrosine 3-nitrotyrosine: RN given refers to parent cpd without isomeric designation. 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.	2	1	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
sodium sulfide sodium sulfide: see also record for sodium bisulfide; actisoufre is the sodium sulfide component of sulfur-containing thermal springs which is also found in Saccharomyces cerevisiae	2	1	0
potassium bromide potassium bromide : A metal bromide salt with a K(+) counterion.	2.08	1	0	potassium salt
lupeol [no description available]	2.13	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
metribolone Metribolone: A synthetic non-aromatizable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors.. 17beta-hydroxy-17-methylestra-4,9,11-trien-3-one : A synthetic non-aromatisable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors.	2.03	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid	androgen
taurochenodeoxycholic acid Taurochenodeoxycholic Acid: A bile salt formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. It acts as detergent to solubilize fats in the small intestine and is itself absorbed. It is used as a cholagogue and choleretic.. taurochenodeoxycholate : An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.. taurochenodeoxycholic acid : A bile acid taurine conjugate of chenodeoxycholic acid.	2.03	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
bortezomib [no description available]	2.04	1	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
methylmercuric chloride methylmercuric chloride: RN given refers to unlabeled cpd	3.39	7	0	chlorine molecular entity; mercury coordination entity; one-carbon compound
leupeptins Leupeptins: A group of acylated oligopeptides produced by Actinomycetes that function as protease inhibitors. They have been known to inhibit to varying degrees trypsin, plasmin, KALLIKREINS, papain and the cathepsins.	2.02	1	0
s-adenosylhomocysteine S-Adenosylhomocysteine: 5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions.. S-adenosyl-L-homocysteine : An organic sulfide that is the S-adenosyl derivative of L-homocysteine.	1.99	1	0	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
glycogen glycogen : A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues.	7.42	2	0
n-acetylneuraminic acid N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl.	2.01	1	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
fibrin Fibrin: A protein derived from FIBRINOGEN in the presence of THROMBIN, which forms part of the blood clot.	2.08	1	0	peptide
hexacyanoferrate iii hexacyanoferrate III: RN given refers to parent cpd	2	1	0
glucosamine D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2.	2.02	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
carnosine polaprezinc: stimulates bone growth	7.05	1	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
epiglucan epiglucan: a highly side-chain/branched alkali-insoluble cell wall glucan from fungus such as Epicoccum nigrum, Botrytis cinerea, ascomycetes & basidiomycetes; also isolated S-4001 from Lei Wan (polyporus mylitiae), HA-beta-glucan from mushroom Pleutotus ostreatus (Fr.) Quel., and translam from seaweed Laminaria cichorioides; with commercially important functional properties including emulsification and friction reduction.	2.17	1	0
pantetheine Pantetheine: An intermediate in the pathway of coenzyme A formation in mammalian liver and some microorganisms.. pantetheine : An amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine.	3.1	5	0	pantetheines; thiol	human metabolite; metabolite; mouse metabolite
3,4-dihydroxyphenyllactic acid 3,4-dihydroxyphenyllactic acid: from S. miltiorhiza Bge; dilates coronary artery; RN given refers to parent cpd without isomeric designation	2.08	1	0	2-hydroxy monocarboxylic acid; catechols
inositol 1,4,5-trisphosphate Inositol 1,4,5-Trisphosphate: Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.	2.01	1	0	myo-inositol trisphosphate	mouse metabolite
ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.	2.38	2	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
nitroarginine Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6). N(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.	2	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
dehydroascorbic acid Dehydroascorbic Acid: The reversibly oxidized form of ascorbic acid. It is the lactone of 2,3-DIKETOGULONIC ACID and has antiscorbutic activity in man on oral ingestion.. L-dehydroascorbate : An organic anion and the conjugate base of L-dehydroascorbic acid, arising from deprotonation of the acidic C2-position.. L-dehydroascorbic acid : Dehydroascorbic acid having the L-configuration.	2	1	0	dehydroascorbic acid; vitamin C	coenzyme; mouse metabolite
monensin Monensin: An antiprotozoal agent produced by Streptomyces cinnamonensis. It exerts its effect during the development of first-generation trophozoites into first-generation schizonts within the intestinal epithelial cells. It does not interfere with hosts' development of acquired immunity to the majority of coccidial species. Monensin is a sodium and proton selective ionophore and is widely used as such in biochemical studies.. monensin A : A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle.	6.97	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
sodium arsenite sodium arsenite : An inoganic sodium salt with formula with formula NaAsO2.	8.41	7	0	arsenic molecular entity; inorganic sodium salt	antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.44	2	0	cyclodextrin
trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	2.08	1	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	3.13	5	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.	4.07	3	1	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
fumaric acid fumaric acid: see also record for ferrous fumarate; use FUMARATES for general fumaric acid esters. fumaric acid : A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.	2.07	1	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	7.42	2	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).	9.3	4	1	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
cyanoginosin lr cyanoginosin LR: cyclic heptapeptide from cyanobacterium Microcystis aeruginosa. microcystin-LR : A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins.	2.46	2	0	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
pectins Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid.	2.17	1	0	D-galactopyranuronic acid
eicosapentaenoic acid icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds.. all-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17.	1.99	1	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
lycopene [no description available]	2.44	2	0	acyclic carotene	antioxidant; plant metabolite
prostaglandin d2 Prostaglandin D2: The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects.. prostaglandin D2 : A member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer).	2.43	2	0	prostaglandins D	human metabolite; mouse metabolite
decitabine [no description available]	2.01	1	0	2'-deoxyribonucleoside
pantethine pantethine: RN given refers to cpd without isomeric designation; structure. pantethine : An organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group.	3.1	5	0	organic disulfide	coenzyme; nutraceutical
dactinomycin Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)	1.99	1	0	actinomycin	mutagen
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	2.68	3	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
n,n'-ethylenediamine disuccinic acid N,N'-ethylenediamine disuccinic acid: from Actinomycetes MG417-CF17; structure given in first source	2.11	1	0
bromochloroacetic acid Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.	2.11	1	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
isomethyleugenol Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed)	6.22	17	0	isomethyleugenol
retinol acetate retinol acetate: structure given in first source	6.97	1	0	acetate ester
squalene Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate	2	1	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	2.74	3	0	stilbene
flavin-adenine dinucleotide Flavin-Adenine Dinucleotide: A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972)	2	1	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.	2.05	1	0	diphosphate ion
sesquiterpenes [no description available]	2.15	1	0
3,3',4,5'-tetrahydroxystilbene 3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer. piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.	2.41	1	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	2.98	4	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
methimazole Methimazole: A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme.. methimazole : A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.	2.48	2	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.	2.08	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
chlorogenic acid caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.	2.08	1	0	cinnamate ester; tannin	food component; plant metabolite
thiobarbituric acid thiobarbituric acid: RN given refers to parent cpd. 2-thiobarbituric acid : A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur.	1.98	1	0	barbiturates	allergen; reagent
thiourea Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.	2	1	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
thioacetamide Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur.	2.08	1	0	thiocarboxamide	hepatotoxic agent
unithiol Unithiol: A chelating agent used as an antidote to heavy metal poisoning.	2.41	2	0
succimer Succimer: A mercaptodicarboxylic acid used as an antidote to heavy metal poisoning because it forms strong chelates with them.. succimer : A sulfur-containing carboxylic acid that is succinic acid bearing two mercapto substituents at positions 2 and 3. A lead chelator used as an antedote to lead poisoning.	2.02	1	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
nadp [no description available]	3.8	11	0
1,1-diphenyl-2-picrylhydrazyl 1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974)	2.48	2	0
nabam mancozeb: complex of zinc & maneb, containing 20% manganese & 2.5% zinc. mancozeb : A mixture composed from maneb and zineb, which is used as a broad-spectrum contact fungicide.. ethylenebis(dithiocarbamic acid) : A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine.	1.97	1	0	dithiocarbamic acids
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	2.41	2	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.	2.99	4	0	alkali metal atom
zineb Zineb: An agricultural fungicide of the dithiocarbamate class. It has relatively low toxicity and there is little evidence of human injury from exposure.. zineb : A polymeric complex of zinc with the ethylene bis(dithiocarbamate) anionic ligand. Formerly used as an agricultural fungicide for the control of downy mildews and rusts, its use is no longer permitted in the US or the EU.	1.97	1	0	dithiocarbamate salt; macromolecule; zinc coordination entity	antifungal agrochemical
cobaltous chloride cobaltous chloride: RN given refers to unlabeled cpd; RN in Chemline for cobalt trichloride: 10241-04-0; RN for 60-labeled cpd: 14543-09-0; RN for 57-labeled cpd: 164113-89-1; RN for 58-labeled cpd: 29377-09-1; structure. cobalt dichloride : A cobalt salt in which the cobalt metal is in the +2 oxidation state and the counter-anion is chloride. It is used as an indicator for water in desiccants.	2.01	1	0	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
maneb Maneb: Manganese derivative of ethylenebisdithiocarbamate. It is used in agriculture as a fungicide and has been shown to cause irritation to the eyes, nose, skin, and throat.. maneb : A polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. An agrochemical fungicide, it is used to control a variety of diseases including blight, leaf spot, rust, downy mildew and scab.	2.44	2	0
cystine [no description available]	4.32	19	0
ginsenosides ginsenoside : Triterpenoid saponins with a dammarane-like skeleton originally isolated from ginseng (Panax) species. Use of the term has been extended to include semi-synthetic derivatives.	2.13	1	0
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	3.47	1	1
sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.	2.41	1	0	organic sodium salt	detergent; protein denaturant
sodium borohydride sodium borohydride: RN given refers to parent cpd	2.05	1	0	inorganic sodium salt; metal tetrahydridoborate
osteoprotegerin Osteoprotegerin: A secreted member of the TNF receptor superfamily that negatively regulates osteoclastogenesis. It is a soluble decoy receptor of RANK LIGAND that inhibits both CELL DIFFERENTIATION and function of OSTEOCLASTS by inhibiting the interaction between RANK LIGAND and RECEPTOR ACTIVATOR OF NUCLEAR FACTOR-KAPPA B.	2.06	1	0	long-chain fatty acid
diethyl maleate diethyl maleate : A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis.	2.67	3	0	ethyl ester; maleate ester	glutathione depleting agent
ku 55933 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one: specific inhibitor of the ataxia-telangiectasia mutated kinase ATM; structure in first source	2.05	1	0
quercetin [no description available]	7.73	3	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
bilirubin [no description available]	7.74	6	2	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	2.7	3	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost Dinoprost: A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions.. prostaglandin F2alpha : A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor.	1.99	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
biochanin a [no description available]	7.07	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
formononetin [no description available]	7.07	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.	2.02	1	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin [no description available]	2.07	1	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.	2.4	2	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes	2.4	2	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
vitamin k semiquinone radical vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors.	1.97	1	0
beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.	2.43	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
leukotriene b4 Leukotriene B4: The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene B4 : A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway.	2.08	1	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
leukotriene c4 Leukotriene C4: The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some VASCULAR SMOOTH MUSCLE. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene C4 : A leukotriene that is (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage.	1.99	1	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
thromboxane a2 Thromboxane A2: An unstable intermediate between the prostaglandin endoperoxides and thromboxane B2. The compound has a bicyclic oxaneoxetane structure. It is a potent inducer of platelet aggregation and causes vasoconstriction. It is the principal component of rabbit aorta contracting substance (RCS).. thromboxane A2 : A thromboxane which is produced by activated platelets and has prothrombotic properties: it stimulates activation of new platelets as well as increases platelet aggregation.	4.09	3	1	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	3.13	5	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
6-ketoprostaglandin f1 alpha 6-Ketoprostaglandin F1 alpha: The physiologically active and stable hydrolysis product of EPOPROSTENOL. Found in nearly all mammalian tissue.. 6-oxoprostaglandin F1alpha : A prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 6-position.	2	1	0	prostaglandins Falpha	human metabolite; mouse metabolite
genistein [no description available]	2.46	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	2	1	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
jasmonic acid jasmonic acid: a derivative of alpha-linolenic acid that has a role in plant response to herbivory analogous to the role of prostanoids in inflammation in mammals;. jasmonic acid : An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.	2.04	1	0	oxo monocarboxylic acid	jasmonates; plant metabolite
astaxanthine astaxanthine: a keto form of carotene; pigment in flesh of Scottish salmon (Salmo salar) crustacoa-lobster (Homarus gammarus, flamingo feathers; structure; a carotenoid without vitamin A activity, has shown anti-oxidant and anti-inflammatory activities. astaxanthin : A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein.	2.05	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.13	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
scutellarein scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein. scutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7.	2.02	1	0	tetrahydroxyflavone	metabolite
caffeic acid phenethyl ester phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.	2.01	1	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.	2.06	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
ellagic acid [no description available]	2.46	2	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
coenzyme q10 coenzyme Q10: Ubiquinone ring with a chain of 10 isoprene units; redox equilibrium with ubiqunol serving in mitochondrial inner membrane to transfer electrons; presence during reconstitution of acetylcholine receptor into phospholipid vesicles yields vesicles active in catalyzing carbamylcholine-sensitive Na+ flux; coenzyme Q10 depletion has been noted with use of statins. coenzyme Q10 : A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration.	3.8	2	1	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid 4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid: A non-penetrating amino reagent (commonly called SITS) which acts as an inhibitor of anion transport in erythrocytes and other cells.	2.4	2	0	stilbenoid
isotretinoin Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.. isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.	2.43	2	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol Misoprostol: A synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties.. misoprostol : A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form.	2.08	1	0
thromboxane b2 Thromboxane B2: A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin).. thromboxane B2 : A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.	2.91	4	0	thromboxanes B	human metabolite; mouse metabolite
amsonic acid amsonic acid: RN given refers to parent cpd	2	1	0
diminazene aceturate diminazene diaceturate : An N-acetylglycinate salt resulting from the reaction of diminazene with 2 mol eq. of N-acetylglycine.	7.06	1	0	N-acetylglycinate salt	antiparasitic agent; trypanocidal drug
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	2.06	1	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
brefeldin a [no description available]	1.98	1	0	macrolide antibiotic	Penicillium metabolite
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	6.98	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
isorhamnetin 3-o-glucoside isorhamnetin 3-O-glucoside: from the flowers of Persea gratissima; structure in first source. isorhamnetin 3-O-beta-D-glucopyranoside : A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue.	2.05	1	0	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
casein kinase ii Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression.	2.05	1	0
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.	3.58	8	0	carbon group element atom; elemental lead; metal atom	neurotoxin
tin [no description available]	1.98	1	0	carbon group element atom; elemental tin; metal atom	micronutrient
bay 11-7085 BAY11-7085 : A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB.	2.02	1	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
diamide Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells.	2.39	2	0	1,1'-azobis(N,N-dimethylformamide)
antimony Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes.	2.44	2	0	metalloid atom; pnictogen
barium Barium: An element of the alkaline earth group of metals. It has an atomic symbol Ba, atomic number 56, and atomic weight 138. All of its acid-soluble salts are poisonous.	1.98	1	0	alkaline earth metal atom; elemental barium
rubidium Rubidium: An element that is an alkali metal. It has an atomic symbol Rb, atomic number 37, and atomic weight 85.47. It is used as a chemical reagent and in the manufacture of photoelectric cells.	1.98	1	0	alkali metal atom
aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.	3.8	3	0	boron group element atom; elemental aluminium; metal atom
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	6.24	33	0	metalloid atom; pnictogen	micronutrient
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.	4.56	7	0	chalcogen; nonmetal atom	macronutrient
fumarates Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)	2.07	1	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	6.51	44	1	cysteinium	fundamental metabolite
phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.	2.68	3	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
germanium Germanium: A rare metal element with a blue-gray appearance and atomic symbol Ge, atomic number 32, and atomic weight 72.63.	1.99	1	0	carbon group element atom; metalloid atom; nonmetal atom
selenium Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE.	19.48	691	51	chalcogen; nonmetal atom	micronutrient
selenocysteine Selenocysteine: A naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid.. selenocysteine : An alpha-amino acid that consists of alanine where one of the methyl hydrogens is substituted with a seleno group.	13.65	53	1
methaneselenol methaneselenol: RN given refers to (75)Se-labeled cpd. methylselenol : An organoselenium compound that is a selenium analogue of methanol, comprising a methyl group covalently bound to a selenol group.	3.86	3	0
tellurium Tellurium: An element that is a member of the chalcogen family. It has the atomic symbol Te, atomic number 52, and atomic weight 127.60. It has been used as a coloring agent and in the manufacture of electrical equipment. Exposure may cause nausea, vomiting, and CNS depression.	4.55	24	0	chalcogen; metalloid atom
selenourea [no description available]	2.02	1	0
triethyllead triethyllead: RN given refers to parent cpd	7.01	1	0
aluminum citrate [no description available]	2.42	2	0
selenocyanic acid [no description available]	2.72	3	0	organic radical
antimycin a Antimycin A: An antibiotic substance produced by Streptomyces species. It inhibits mitochondrial respiration and may deplete cellular levels of ATP. Antimycin A1 has been used as a fungicide, insecticide, and miticide. (From Merck Index, 12th ed). antimycin A : A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison.	2.08	1	0	amidobenzoic acid
bafilomycin a1 bafilomycin A1: from Streptomyces griseus; structure given in first source. bafilomycin A1 : The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.	2.07	1	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid 15-hydroperoxy-5,8,11,13-eicosatetraenoic acid: RN given refers to cpd without isomeric designation; (S-(E,Z,Z,Z))-isomer caused dose-dependent constriction of cat coronary arteries; structure in first source. 15-HPETE : A HPETE that consists of (5Z,8Z,11Z,13E)-icosatetraenoic acid in which the hydroperoxy group is located at position 15.	1.98	1	0	HPETE	human xenobiotic metabolite
s-allylcysteine S-allylcysteine: structure in first source; RN given refers to (L)-isomer. S-allylcysteine : An S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity.	1.99	1	0	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite
s-allylmercaptocysteine S-allylmercaptocysteine: a potent inhibitor of cell proliferation	2.1	1	0
s-(1,2-dicarboxyethyl)glutathione S-(1,2-dicarboxyethyl)glutathione: isolated from calf lens; structure in first source	2	1	0
ursodoxicoltaurine tauroursodeoxycholate : An organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.. tauroursodeoxycholic acid : A bile acid taurine conjugate derived from ursoodeoxycholic acid.	2.03	1	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	5.06	9	1	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
alloin alloin: isolated from various species of aloe; structure	2.06	1	0	diastereoisomeric mixture	EC 1.14.18.1 (tyrosinase) inhibitor; laxative
carbobenzoxy-leucyl-leucyl-norvalinal carbobenzoxy-leucyl-leucyl-norvalinal: structure given in first source	2.02	1	0	peptide
sja 6017 N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal: structure in first source	2	1	0
aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories.	2.94	4	0
selenobetaine selenobetaine: structure given in first source	1.98	1	0
(1,2-bis(1,2-benzisoselenazolone-3(2h)-ketone))ethane (1,2-bis(1,2-benzisoselenazolone-3(2H)-ketone))ethane: has antineoplastic activity; structure in first source	2.15	1	0
acebutolol alpha-D-glucosyl-(1->4)-alpha-D-mannose : An alpha-D-glucosyl-(1->4)-D-mannopyranose in which the anomeric hydroxy group has alpha configuration.	2.41	1	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.	2	1	0	nystatins
sodium selenosulfate [no description available]	7.74	3	0
chlorophyll b [no description available]	2.54	2	0	chlorophyll	cofactor
veratridine Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal.	2.03	1	0
idelalisib idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.	2.41	1	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
losartan potassium Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation.	2.11	1	0
calcimycin Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems.	3.38	7	0	benzoxazole
sepharose agarose : A linear polysaccharide made up from alternating D-galactose and 3,6-anhydro-alpha-L-galactopyranose residues joined by alpha-(1->3)- and beta-(1->4)-linkages.	1.98	1	0
ammonium citrate [no description available]	2.06	1	0	ammonium salt; citrate salt	buffer; food emulsifier
aflatoxin g1 aflatoxin G1: RN given refers to (7aR-cis)-isomer & is from 9th CI Form Index	2.06	1	0
cysteinyldopa Cysteinyldopa: Found in large amounts in the plasma and urine of patients with malignant melanoma. It is therefore used in the diagnosis of melanoma and for the detection of postoperative metastases. Cysteinyldopa is believed to be formed by the rapid enzymatic hydrolysis of 5-S-glutathionedopa found in melanin-producing cells.	1.99	1	0	catecholamine; zwitterion
2',7'-dichlorodihydrofluorescein 2',7'-dichlorodihydrofluorescein: nonfluorescent, reduced form of 2',7'-dichlorofluorescein	2.05	1	0
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	2.01	1	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	3.98	13	0
glucagon Glucagon: A 29-amino acid pancreatic peptide derived from proglucagon which is also the precursor of intestinal GLUCAGON-LIKE PEPTIDES. Glucagon is secreted by PANCREATIC ALPHA CELLS and plays an important role in regulation of BLOOD GLUCOSE concentration, ketone metabolism, and several other biochemical and physiological processes. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1511). glucagon : A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence.	6.98	1	0	peptide hormone
tannins Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing.	2.15	1	0
anticodon Anticodon: The sequential set of three nucleotides in TRANSFER RNA that interacts with its complement in MESSENGER RNA, the CODON, during translation in the ribosome.	1.99	1	0
c-peptide C-Peptide: The middle segment of proinsulin that is between the N-terminal B-chain and the C-terminal A-chain. It is a pancreatic peptide of about 31 residues, depending on the species. Upon proteolytic cleavage of proinsulin, equimolar INSULIN and C-peptide are released. C-peptide immunoassay has been used to assess pancreatic beta cell function in diabetic patients with circulating insulin antibodies or exogenous insulin. Half-life of C-peptide is 30 min, almost 8 times that of insulin.	1.98	1	0
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	2.07	1	0	glycoside
endothelin-1 Endothelin-1: A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63)	2.07	1	0
chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.	3.57	8	0	chlorophyll; methyl ester	cofactor
sodium salicylate [no description available]	1.97	1	0	organic molecular entity
sphingosine kinase [no description available]	2.07	1	0
ubiquinone Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals.	3.8	2	1
calpain Calpain: Cysteine proteinase found in many tissues. Hydrolyzes a variety of endogenous proteins including NEUROPEPTIDES; CYTOSKELETAL PROTEINS; proteins from SMOOTH MUSCLE; CARDIAC MUSCLE; liver; platelets; and erythrocytes. Two subclasses having high and low calcium sensitivity are known. Removes Z-discs and M-lines from myofibrils. Activates phosphorylase kinase and cyclic nucleotide-independent protein kinase. This enzyme was formerly listed as EC 3.4.22.4.	5.25	16	0
lucifer yellow lucifer yellow: RN given refers to di-Li salt	2.01	1	0	organic lithium salt	fluorochrome
chitosan [no description available]	9.21	3	1
s-nitro-n-acetylpenicillamine S-nitro-N-acetylpenicillamine: a NO donor	2.01	1	0
wr 77913 [no description available]	2.9	4	0
potassium iodate [no description available]	2.06	1	0
sodium nitrite Sodium Nitrite: Nitrous acid sodium salt. Used in many industrial processes, in meat curing, coloring, and preserving, and as a reagent in ANALYTICAL CHEMISTRY TECHNIQUES. It is used therapeutically as an antidote in cyanide poisoning. The compound is toxic and mutagenic and will react in vivo with secondary or tertiary amines thereby producing highly carcinogenic nitrosamines.. sodium nitrite : An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning.	1.98	1	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
sodium glutamate Sodium Glutamate: One of the FLAVORING AGENTS used to impart a meat-like flavor.. monosodium glutamate : An organic sodium salt that is the monosodium salt of glutamic acid.	2.03	1	0	monosodium glutamate	flavouring agent
cortisol succinate, sodium salt hydrocortisone hemisuccinate: RN given refers to (11beta)-isomer; Synonyms Solu-Cortef & sopolcort H refer to Na salt	2.97	1	0	organic molecular entity
phosphatidylinositol 4-phosphate phosphatidylinositol 4-phosphate : A phosphatidylinositol monophosphate carrying the phosphate group at the 4-position.	1.98	1	0
s-adenosylmethionine (R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.	2.69	3	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
insulin, isophane Insulin, Isophane: An intermediate-acting INSULIN preparation with onset time of 2 hours and duration of 24 hours. It is produced by crystallizing ZINC-insulin-PROTAMINES at neutral pH 7. Thus it is called neutral protamine Hagedorn for inventor Hans Christian Hagedorn.	2.13	1	0
egg white Egg White: The white of an egg, especially a chicken's egg, used in cooking. It contains albumin. (Random House Unabridged Dictionary, 2d ed)	2.44	2	0
cardiovascular agents Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.	3.37	1	1
mannans [no description available]	2.07	1	0
piperidines Piperidines: A family of hexahydropyridines.	2.05	1	0
interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells.	3.02	4	0
exenatide Exenatide: A synthetic form of exendin-4, a 39-amino acid peptide isolated from the venom of the Gila monster lizard (Heloderma suspectum). Exenatide increases CYCLIC AMP levels in pancreatic acinar cells and acts as a GLUCAGON-LIKE PEPTIDE-1 RECEPTOR (GLP-1) agonist and incretin mimetic, enhancing insulin secretion in response to increased glucose levels; it also suppresses inappropriate glucagon secretion and slows gastric emptying. It is used an anti-diabetic and anti-obesity agent.	2.07	1	0
methylcellulose Methylcellulose: Methylester of cellulose. Methylcellulose is used as an emulsifying and suspending agent in cosmetics, pharmaceutics and the chemical industry. It is used therapeutically as a bulk laxative.	2.07	1	0
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	6.25	33	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
isoascorbic acid isoascorbic acid: food antioxidant; (L)-isomer is ascorbic acid; RN given refers to (D)-isomer; structure	2.04	1	0	ascorbic acid
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.	1.97	1	0	monohydroxybenzoate	plant metabolite
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	2.15	1	0	benzenes; hydroxycoumarin; methyl ketone
antimycin [no description available]	2.08	1	0
epidermal growth factor Epidermal Growth Factor: A 6-kDa polypeptide growth factor initially discovered in mouse submaxillary glands. Human epidermal growth factor was originally isolated from urine based on its ability to inhibit gastric secretion and called urogastrone. Epidermal growth factor exerts a wide variety of biological effects including the promotion of proliferation and differentiation of mesenchymal and EPITHELIAL CELLS. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form.	7.48	2	0
charybdotoxin [no description available]	2.01	1	0
transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.	3.32	6	0
pyrethrins [no description available]	2.8	3	0
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	2.73	3	0
cyclin d1 Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.	7.46	2	0
caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones.	2.4	2	0
asbestos, crocidolite Asbestos, Crocidolite: A lavender, acid-resistant asbestos.	1.98	1	0
selenoneine selenoneine: isolated from the blood of bluefin tuna, Thunnus orientalis; structure in first source. selenoneine : A histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine substituted by a selenoxo group at position 2 on the imidazole ring. A selenium-containing antioxidant found in tuna blood.	2.55	2	0
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone: an interleukin-1beta converting enzyme (ICE)-like protease inhibitor	2.42	2	0
2-hydroxy-4-methylselenobutanoic acid 2-hydroxy-4-methylselenobutanoic acid: structure in first source	2.79	3	0
calpastatin calpastatin: large mol wt, heat-stable calpain inhibitor; not based on sequestering Ca++ from medium, but binding to calpain does require Ca++. calpastatin peptide Ac 184-210 : A 27-membered polypeptide comprising the sequence Ac-Asp-Pro-Met-Ser-Ser-Thr-Tyr-Ile-Glu-Glu-Leu-Gly-Lys-Arg-Glu-Val-Thr-Ile-Pro-Pro-Lys-Tyr-Arg-Glu-Leu-Leu-Ala-NH2. An acetylated synthetic peptide from human calpastatin that strongly inhibits both calpains I and II but not papain (a cysteine protease) or trypsin (a serine protease).	3.09	1	0	polypeptide	EC 3.4.22.52 (calpain-1) inhibitor; EC 3.4.22.53 (calpain-2) inhibitor
hyaluronoglucosaminidase Hyaluronoglucosaminidase: An enzyme that catalyzes the random hydrolysis of 1,4-linkages between N-acetyl-beta-D-glucosamine and D-glucuronate residues in hyaluronate. (From Enzyme Nomenclature, 1992) There has been use as ANTINEOPLASTIC AGENTS to limit NEOPLASM METASTASIS.	1.97	1	0
nephrin nephrin: gene nephrin is mutated in congenital nephrotic syndrome; amino acid sequence in first source; GenBank F19541; RefSeq NM_019459 (mouse), NM_004646 (human), NM_022628 (rat)	2.1	1	0
vitamin b 12 Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.	4.77	7	1
aconitine Aconitine: A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM; DELPHINIUM and larkspurs. It activates VOLTAGE-GATED SODIUM CHANNELS. It has been used to induce ARRHYTHMIAS in experimental animals and it has anti-inflammatory and anti-neuralgic properties.. aconitine : A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively.	1.98	1	0
transforming growth factor alpha Transforming Growth Factor alpha: An EPIDERMAL GROWTH FACTOR related protein that is found in a variety of tissues including EPITHELIUM, and maternal DECIDUA. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form which binds to the EGF RECEPTOR.	2.05	1	0
cyclosporine Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed).	2.93	4	0
orabase Orabase: used in therapy of oral mucosal ulcers	2.42	2	0
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.	1.99	1	0
amyloid beta-peptides amyloid beta-protein (1-40): although acutely neurotoxic in both rat & monkey cerebral cortex, neuronal degeneration in primates resembles more closely to that found in Alzheimer's disease; amino acid sequence has been determined	2.04	1	0
cyclic gmp Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). 3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.	2	1	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
deoxyguanosine [no description available]	4.52	5	1	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanosine ribonucleoside : Any nucleoside where the sugar component is D-ribose.	2.05	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.	2.76	3	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
pheophytin a pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S,11S),4beta,21beta))-isomer	2.54	2	0
oxypurinol Oxypurinol: A xanthine oxidase inhibitor.. alloxanthine : A pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6.	2	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.	2.94	4	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin [no description available]	2.05	1	0
8-hydroxyguanosine 8-hydroxyguanosine: immunostimulant for B lymphocytes; structure given in first source	2.05	1	0	purine nucleoside
sildenafil citrate Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.. sildenafil citrate : The citrate salt of sildenafil.	2.25	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
8-bromocyclic gmp 8-bromo-3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic GMP bearing an additional bromo substituent at position 8 on the guanine ring. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.	2	1	0	3',5'-cyclic purine nucleotide; organobromine compound	muscle relaxant; protein kinase G agonist
trypan blue Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid).	2.38	2	0
methylnitronitrosoguanidine Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties.. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position	2.38	2	0	nitroso compound	alkylating agent
8-hydroxy-2'-deoxyguanosine 8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.	4.52	5	1	guanosines	biomarker
molybdenum cofactor molybdenum cofactor: also see records for molybdopterin cytosine dinucleotide and molybdopterin guanine dinucleotide. MoO2-molybdopterin cofactor(2-) : An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of MoO2-molybdopterin cofactor.. MoO2-molybdopterin cofactor : An Mo-molybdopterin cofactor in which the coordinated molybdenum species is MoO2.	2.42	2	0	Mo-molybdopterin cofactor; organophosphate oxoanion
eye [no description available]	2.08	1	0
concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures.	2.07	1	0
metallothionein Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals.	3.1	5	0
dinitrobenzenes Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions.	2.05	1	0
leptin Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage.	2.25	1	0

Condition	Indicated	Relationship Strength	Studies	Trials
Breast Cancer [description not available]	0	9.1	17	4
Breast Neoplasms Tumors or cancer of the human BREAST.	1	11.1	17	4
Degenerative Diseases, Central Nervous System [description not available]	0	2.31	1	0
Neurodegenerative Diseases Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.	0	2.31	1	0
Benign Neoplasms, Brain [description not available]	0	3.32	6	0
Astrocytoma, Grade IV [description not available]	0	3	4	0
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	0	3.32	6	0
Glioblastoma A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures.	0	3	4	0
Aberrant Crypt Foci Clusters of colonic crypts that appear different from the surrounding mucosa when visualized after staining. They are of interest as putative precursors to colorectal adenomas and potential biomarkers for colorectal carcinoma.	0	2.31	1	0
Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.	0	2.31	1	0
Cancer of Colon [description not available]	0	5.55	16	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	8.83	70	1
Colonic Neoplasms Tumors or cancer of the COLON.	0	5.55	16	1
Cataract, Membranous [description not available]	0	8.04	130	0
Cataract Partial or complete opacity on or in the lens or capsule of one or both eyes, impairing vision or causing blindness. The many kinds of cataract are classified by their morphology (size, shape, location) or etiology (cause and time of occurrence). (Dorland, 27th ed)	0	8.04	130	0
Benign Neoplasms [description not available]	0	9.93	18	2
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	0	9.93	18	2
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	0	7.77	61	1
Alloxan Diabetes [description not available]	0	4.65	26	0
Autoimmune Diabetes [description not available]	0	4.36	4	1
Diabetes Mellitus, Type 1 A subtype of DIABETES MELLITUS that is characterized by INSULIN deficiency. It is manifested by the sudden onset of severe HYPERGLYCEMIA, rapid progression to DIABETIC KETOACIDOSIS, and DEATH unless treated with insulin. The disease may occur at any age, but is most common in childhood or adolescence.	0	4.36	4	1
Diabetic Retinopathy Disease of the RETINA as a complication of DIABETES MELLITUS. It is characterized by the progressive microvascular complications, such as ANEURYSM, interretinal EDEMA, and intraocular PATHOLOGIC NEOVASCULARIZATION.	0	8.82	2	1
Exertional Heat Illness [description not available]	0	3.8	1	1
Fetal Growth Restriction [description not available]	0	3.8	1	1
Fetal Growth Retardation Failure of a FETUS to attain expected GROWTH.	0	3.8	1	1
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	0	9.4	49	8
Colitis Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER.	0	3.44	6	0
Cardiac Toxicity [description not available]	0	2.82	2	0
Cardiotoxicity Damage to the HEART or its function secondary to exposure to toxic substances such as drugs used in CHEMOTHERAPY; IMMUNOTHERAPY; or RADIATION.	0	7.82	2	0
Cadmium Poisoning Poisoning occurring after exposure to cadmium compounds or fumes. It may cause gastrointestinal syndromes, anemia, or pneumonitis.	0	3.01	4	0
Atherogenesis [description not available]	0	3.8	1	1
Atherosclerosis A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.	0	3.8	1	1
Autism Spectrum Disorder Wide continuum of associated cognitive and neurobehavioral disorders, including, but not limited to, three core-defining features: impairments in socialization, impairments in verbal and nonverbal communication, and restricted and repetitive patterns of behaviors. (from DSM-V)	0	3.8	1	1
Autism [description not available]	0	3.8	1	1
Innate Inflammatory Response [description not available]	0	9.18	20	5
Autistic Disorder A disorder beginning in childhood. It is marked by the presence of markedly abnormal or impaired development in social interaction and communication and a markedly restricted repertoire of activity and interest. Manifestations of the disorder vary greatly depending on the developmental level and chronological age of the individual. (DSM-V)	0	3.8	1	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	14.18	20	5
Bowel Diseases, Inflammatory [description not available]	0	2.66	2	0
Inflammatory Bowel Diseases Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS.	0	2.66	2	0
Adenocarcinoma Of Kidney [description not available]	0	2.41	1	0
Cancer of Kidney [description not available]	0	2.74	3	0
Carcinoma, Renal Cell A heterogeneous group of sporadic or hereditary carcinoma derived from cells of the KIDNEYS. There are several subtypes including the clear cells, the papillary, the chromophobe, the collecting duct, the spindle cells (sarcomatoid), or mixed cell-type carcinoma.	0	2.41	1	0
Kidney Neoplasms Tumors or cancers of the KIDNEY.	0	2.74	3	0
Cancer of Cervix [description not available]	0	6.96	7	4
Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX.	0	6.96	7	4
Malnourishment [description not available]	0	4.02	9	0
Cardiomyopathy, Congestive [description not available]	0	4.02	9	0
Cardiomyopathy, Dilated A form of CARDIAC MUSCLE disease that is characterized by ventricular dilation, VENTRICULAR DYSFUNCTION, and HEART FAILURE. Risk factors include SMOKING; ALCOHOL DRINKING; HYPERTENSION; INFECTION; PREGNANCY; and mutations in the LMNA gene encoding LAMIN TYPE A, a NUCLEAR LAMINA protein.	0	4.02	9	0
Malnutrition An imbalanced nutritional status resulting from insufficient intake of nutrients to meet normal physiological requirement.	0	4.02	9	0
Diffuse Large B-Cell Lymphoma [description not available]	0	4.02	9	0
Lymphoma, Large B-Cell, Diffuse Malignant lymphoma composed of large B lymphoid cells whose nuclear size can exceed normal macrophage nuclei, or more than twice the size of a normal lymphocyte. The pattern is predominantly diffuse. Most of these lymphomas represent the malignant counterpart of B-lymphocytes at midstage in the process of differentiation.	0	4.02	9	0
Idiopathic Parkinson Disease [description not available]	0	2.41	1	0
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)	0	2.41	1	0
Heavy Metal Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of HEAVY METALS. Acute and chronic exposures can cause ANEMIA; KIDNEY and LIVER damage; PULMONARY EDEMA; MEMORY LOSS and behavioral changes; bone deformities in children; and MISCARRIAGE or PREMATURE LABOR in pregnant women.	0	3.29	2	0
Cancer of Ovary [description not available]	0	4.8	7	1
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	0	4.8	7	1
Cancer of Lung [description not available]	0	4.52	23	0
Lung Neoplasms Tumors or cancer of the LUNG.	0	4.52	23	0
Cerebral Ischemia [description not available]	0	3.29	6	0
Hyperglycemia, Postprandial Abnormally high BLOOD GLUCOSE level after a meal.	0	2.77	3	0
Injury, Ischemia-Reperfusion [description not available]	0	4.13	15	0
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	0	3.29	6	0
Hyperglycemia Abnormally high BLOOD GLUCOSE level.	0	2.77	3	0
Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.	0	9.13	15	0
Infections, Salmonella [description not available]	0	3.11	5	0
Cancer of Stomach [description not available]	0	3.01	4	0
Stomach Neoplasms Tumors or cancer of the STOMACH.	0	3.01	4	0
Poisoning, Mercury [description not available]	0	3.55	8	0
Mercury Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of MERCURY or MERCURY COMPOUNDS.	0	3.55	8	0
Leucocythaemia [description not available]	0	3.28	6	0
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	0	3.28	6	0
Cerebral Infarction, Middle Cerebral Artery [description not available]	0	2.73	3	0
Infarction, Middle Cerebral Artery NECROSIS occurring in the MIDDLE CEREBRAL ARTERY distribution system which brings blood to the entire lateral aspects of each CEREBRAL HEMISPHERE. Clinical signs include impaired cognition; APHASIA; AGRAPHIA; weak and numbness in the face and arms, contralaterally or bilaterally depending on the infarction.	0	2.73	3	0
Infections, Coronavirus [description not available]	0	2.25	1	0
2019 Novel Coronavirus Disease [description not available]	0	2.25	1	0
Pneumonia, Viral Inflammation of the lung parenchyma that is caused by a viral infection.	0	3.83	2	1
Coronavirus Infections Virus diseases caused by the CORONAVIRUS genus. Some specifics include transmissible enteritis of turkeys (ENTERITIS, TRANSMISSIBLE, OF TURKEYS); FELINE INFECTIOUS PERITONITIS; and transmissible gastroenteritis of swine (GASTROENTERITIS, TRANSMISSIBLE, OF SWINE).	0	2.25	1	0
Diabetes Mellitus, Adult-Onset [description not available]	0	4.53	5	1
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	0	4.53	5	1
Hepatocellular Carcinoma [description not available]	0	4.23	17	0
Cancer of Liver [description not available]	0	6.97	15	2
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	0	4.23	17	0
Liver Neoplasms Tumors or cancer of the LIVER.	0	6.97	15	2
Cirrhosis, Liver [description not available]	0	2.69	3	0
Liver Cirrhosis Liver disease in which the normal microcirculation, the gross vascular anatomy, and the hepatic architecture have been variably destroyed and altered with fibrous septa surrounding regenerated or regenerating parenchymal nodules.	0	2.69	3	0
Pericementitis [description not available]	0	2.31	1	0
Alveolar Bone Atrophy [description not available]	0	2.31	1	0
Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology)	0	7.31	1	0
Acute Liver Injury, Drug-Induced [description not available]	0	4.48	22	0
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	0	4.48	22	0
Cancer of Esophagus [description not available]	0	2.25	1	0
Esophageal Neoplasms Tumors or cancer of the ESOPHAGUS.	0	2.25	1	0
Cardiomyopathies, Primary [description not available]	0	4.31	7	0
Cardiomyopathies A group of diseases in which the dominant feature is the involvement of the CARDIAC MUSCLE itself. Cardiomyopathies are classified according to their predominant pathophysiological features (DILATED CARDIOMYOPATHY; HYPERTROPHIC CARDIOMYOPATHY; RESTRICTIVE CARDIOMYOPATHY) or their etiological/pathological factors (CARDIOMYOPATHY, ALCOHOLIC; ENDOCARDIAL FIBROELASTOSIS).	0	4.31	7	0
Neoplasms, Bronchial [description not available]	0	2.25	1	0
Bronchial Neoplasms Tumors or cancer of the BRONCHI.	0	2.25	1	0
HPV Infection [description not available]	0	4.62	1	1
Cervix Dysplasia [description not available]	0	4.62	1	1
Uterine Cervical Dysplasia Abnormal development of immature squamous EPITHELIAL CELLS of the UTERINE CERVIX, a term used to describe premalignant cytological changes in the cervical EPITHELIUM. These atypical cells do not penetrate the epithelial BASEMENT MEMBRANE.	0	4.62	1	1
Papillomavirus Infections Neoplasms of the skin and mucous membranes caused by papillomaviruses. They are usually benign but some have a high risk for malignant progression.	0	4.62	1	1
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	0	5.47	15	1
Food Poisoning [description not available]	0	2.52	2	0
Sterility, Male [description not available]	0	2.15	1	0
Infertility, Male The inability of the male to effect FERTILIZATION of an OVUM after a specified period of unprotected intercourse. Male sterility is permanent infertility.	0	2.15	1	0
Ovine Diseases [description not available]	0	5.39	7	2
Caprine Diseases [description not available]	0	2.15	1	0
Haemonchiasis Infection with nematodes of the genus HAEMONCHUS, characterized by digestive abnormalities and anemia similar to that from hookworm infestation.	0	4.17	3	1
Acute Kidney Failure [description not available]	0	7.89	6	4
Complication, Postoperative [description not available]	0	9.46	7	5
Postoperative Complications Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery.	0	9.46	7	5
Acute Kidney Injury Abrupt reduction in kidney function. Acute kidney injury encompasses the entire spectrum of the syndrome including acute kidney failure; ACUTE KIDNEY TUBULAR NECROSIS; and other less severe conditions.	0	7.89	6	4
Binge Alcohol Consumption [description not available]	0	2.15	1	0
Alcoholic Liver Diseases [description not available]	0	2.15	1	0
Liver Diseases, Alcoholic Liver diseases associated with ALCOHOLISM. It usually refers to the coexistence of two or more subentities, i.e., ALCOHOLIC FATTY LIVER; ALCOHOLIC HEPATITIS; and ALCOHOLIC CIRRHOSIS.	0	2.15	1	0
Liver Steatosis [description not available]	0	2.51	2	0
Fatty Liver Lipid infiltration of the hepatic parenchymal cells resulting in a yellow-colored liver. The abnormal lipid accumulation is usually in the form of TRIGLYCERIDES, either as a single large droplet or multiple small droplets. Fatty liver is caused by an imbalance in the metabolism of FATTY ACIDS.	0	2.51	2	0
Blood Pressure, High [description not available]	0	2.45	2	0
Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.	0	2.45	2	0
Chronic Illness [description not available]	0	5.83	4	2
Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2).	0	5.83	4	2
Carcinoma, Non-Small Cell Lung [description not available]	0	2.76	3	0
Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.	0	2.76	3	0
Chronic Lymphocytic Thyroiditis [description not available]	0	5.49	5	0
Hashimoto Disease Chronic autoimmune thyroiditis, characterized by the presence of high serum thyroid AUTOANTIBODIES; GOITER; and HYPOTHYROIDISM.	0	5.49	5	0
Allergic Reaction [description not available]	0	2.17	1	0
Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.	0	2.17	1	0
Invasiveness, Neoplasm [description not available]	0	3.12	5	0
Carbon Tetrachloride Poisoning Poisoning that results from ingestion, injection, inhalation, or skin absorption of CARBON TETRACHLORIDE.	0	2.15	1	0
Skin Aging The process of aging due to changes in the structure and elasticity of the skin over time. It may be a part of physiological aging or it may be due to the effects of ultraviolet radiation, usually through exposure to sunlight.	0	2.5	2	0
Kashin-Beck Disease Disabling osteochondrodysplasia with OSTEOSCLEROSIS, cone-shaped METAPHYSIS, and shortening of the DIAPHYSIS. It is endemic in parts of Siberia and northern China. Mineral deficiencies (e.g., selenium, iodine), fungal cereal contamination, and water contamination may be contributing factors in its etiology.	0	5.11	3	1
Synovioma [description not available]	0	2.17	1	0
Sarcoma, Synovial A malignant neoplasm arising from tenosynovial tissue of the joints and in synovial cells of tendons and bursae. The legs are the most common site, but the tumor can occur in the abdominal wall and other trunk muscles. There are two recognized types: the monophasic (characterized by sheaths of monotonous spindle cells) and the biphasic (characterized by slit-like spaces or clefts within the tumor, lined by cuboidal or tall columnar epithelial cells). These sarcomas occur most commonly in the second and fourth decades of life. (From Dorland, 27th ed; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1363)	0	2.17	1	0
Lung Adenocarcinoma [description not available]	0	7.17	1	0
Adenocarcinoma of Lung A carcinoma originating in the lung and the most common lung cancer type in never-smokers. Malignant cells exhibit distinct features such as glandular epithelial, or tubular morphology. Mutations in KRAS, EGFR, BRAF, and ERBB2 genes are associated with this cancer.	0	2.17	1	0
Extravascular Hemolysis [description not available]	0	3.43	7	0
Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.	0	3.43	7	0
Bovine Diseases [description not available]	0	4.38	4	1
Giardia duodenalis Infection [description not available]	0	3.56	1	1
Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.	0	7.72	6	4
Giardiasis An infection of the SMALL INTESTINE caused by the flagellated protozoan GIARDIA. It is spread via contaminated food and water and by direct person-to-person contact.	0	3.56	1	1
E coli Infections [description not available]	0	2.17	1	0
Escherichia coli Infections Infections with bacteria of the species ESCHERICHIA COLI.	0	2.17	1	0
Urinary Tract Infections Inflammatory responses of the epithelium of the URINARY TRACT to microbial invasions. They are often bacterial infections with associated BACTERIURIA and PYURIA.	0	2.17	1	0
Carcinoma, Ehrlich Tumor A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms.	0	2.42	2	0
Deficiency Diseases A condition produced by dietary or metabolic deficiency. The term includes all diseases caused by an insufficient supply of essential nutrients, i.e., protein (or amino acids), vitamins, and minerals. It also includes an inadequacy of calories. (From Dorland, 27th ed; Stedman, 25th ed)	0	6.37	5	1
Muscular Dystrophy [description not available]	0	3.81	2	1
Muscular Dystrophies A heterogeneous group of inherited MYOPATHIES, characterized by wasting and weakness of the SKELETAL MUSCLE. They are categorized by the sites of MUSCLE WEAKNESS; AGE OF ONSET; and INHERITANCE PATTERNS.	0	3.81	2	1
Cancer of Prostate [description not available]	0	6.76	35	0
Cancer of Testis [description not available]	0	2.17	1	0
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	1	8.76	35	0
Testicular Neoplasms Tumors or cancer of the TESTIS. Germ cell tumors (GERMINOMA) of the testis constitute 95% of all testicular neoplasms.	0	2.17	1	0
Anemia, Hemolytic, Acquired [description not available]	0	2.21	1	0
Anemia, Hemolytic A condition of inadequate circulating red blood cells (ANEMIA) or insufficient HEMOGLOBIN due to premature destruction of red blood cells (ERYTHROCYTES).	0	2.21	1	0
Disease Resistance The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants.	0	2.17	1	0
Fish Diseases Diseases of freshwater, marine, hatchery or aquarium fish. This term includes diseases of both teleosts (true fish) and elasmobranchs (sharks, rays and skates).	0	2.17	1	0
Bacterial Infections, Gram-Negative [description not available]	0	2.17	1	0
Gram-Negative Bacterial Infections Infections caused by bacteria that show up as pink (negative) when treated by the gram-staining method.	0	2.17	1	0
Animal Mammary Carcinoma [description not available]	0	2.74	3	0
Disease Exacerbation [description not available]	0	7.67	9	3
Cardiomyopathy, Chagas [description not available]	0	5.87	2	2
Chagas Cardiomyopathy A disease of the CARDIAC MUSCLE developed subsequent to the initial protozoan infection by TRYPANOSOMA CRUZI. After infection, less than 10% develop acute illness such as MYOCARDITIS (mostly in children). The disease then enters a latent phase without clinical symptoms until about 20 years later. Myocardial symptoms of advanced CHAGAS DISEASE include conduction defects (HEART BLOCK) and CARDIOMEGALY.	0	5.87	2	2
Anoxia-Ischemia, Brain [description not available]	0	2.17	1	0
Hypoxia-Ischemia, Brain A disorder characterized by a reduction of oxygen in the blood combined with reduced blood flow (ISCHEMIA) to the brain from a localized obstruction of a cerebral artery or from systemic hypoperfusion. Prolonged hypoxia-ischemia is associated with ISCHEMIC ATTACK, TRANSIENT; BRAIN INFARCTION; BRAIN EDEMA; COMA; and other conditions.	0	2.17	1	0
ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available]	0	2.21	1	0
Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN.	0	2.21	1	0
Bladder Cancer [description not available]	0	7.7	3	0
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	0	2.7	3	0
Granulocytic Leukemia, Chronic [description not available]	0	2.21	1	0
Leukemia, Myelogenous, Chronic, BCR-ABL Positive Clonal hematopoetic disorder caused by an acquired genetic defect in PLURIPOTENT STEM CELLS. It starts in MYELOID CELLS of the bone marrow, invades the blood and then other organs. The condition progresses from a stable, more indolent, chronic phase (LEUKEMIA, MYELOID, CHRONIC PHASE) lasting up to 7 years, to an advanced phase composed of an accelerated phase (LEUKEMIA, MYELOID, ACCELERATED PHASE) and BLAST CRISIS.	0	2.21	1	0
Congenital Familial Lymphedema [description not available]	0	9.07	7	4
Lymphedema Edema due to obstruction of lymph vessels or disorders of the lymph nodes.	1	11.07	7	4
Blood Poisoning [description not available]	0	9.4	13	7
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	0	9.4	13	7
Polycystic Ovarian Syndrome [description not available]	0	2.21	1	0
Polycystic Ovary Syndrome A complex disorder characterized by infertility, HIRSUTISM; OBESITY; and various menstrual disturbances such as OLIGOMENORRHEA; AMENORRHEA; ANOVULATION. Polycystic ovary syndrome is usually associated with bilateral enlarged ovaries studded with atretic follicles, not with cysts. The term, polycystic ovary, is misleading.	0	7.21	1	0
Peritoneal Carcinomatosis [description not available]	0	2.21	1	0
Peritoneal Neoplasms Tumors or cancer of the PERITONEUM.	0	2.21	1	0
Malignant Melanoma [description not available]	0	3.27	6	0
Cancer of Skin [description not available]	0	2.72	3	0
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	0	3.27	6	0
Skin Neoplasms Tumors or cancer of the SKIN.	0	2.72	3	0
Equine Diseases [description not available]	0	4.68	3	2
Acute Disease Disease having a short and relatively severe course.	0	6.64	12	5
Respiratory Tract Diseases Diseases involving the RESPIRATORY SYSTEM.	0	3.47	1	1
Carcinoma, Anaplastic [description not available]	0	4.33	4	1
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	0	4.33	4	1
Arsenic Encephalopathy [description not available]	0	2.72	3	0
Bone Cancer [description not available]	0	2.46	2	0
Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES.	0	2.46	2	0
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	0	3.72	10	0
Infections, Orthomyxoviridae [description not available]	0	3.86	2	1
Orthomyxoviridae Infections Virus diseases caused by the ORTHOMYXOVIRIDAE.	0	3.86	2	1
Glial Cell Tumors [description not available]	0	3.13	5	0
Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)	0	3.13	5	0
Asthma, Bronchial [description not available]	0	2.44	2	0
Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).	0	2.44	2	0
Central Hypothyroidism [description not available]	0	6.16	4	1
Autoimmune Thyroiditis [description not available]	0	6.83	5	2
Hypothyroidism A syndrome that results from abnormally low secretion of THYROID HORMONES from the THYROID GLAND, leading to a decrease in BASAL METABOLIC RATE. In its most severe form, there is accumulation of MUCOPOLYSACCHARIDES in the SKIN and EDEMA, known as MYXEDEMA. It may be primary or secondary due to other pituitary disease, or hypothalamic dysfunction.	0	11.16	4	1
Dysmyelopoietic Syndromes [description not available]	0	2.08	1	0
Myelodysplastic Syndromes Clonal hematopoietic stem cell disorders characterized by dysplasia in one or more hematopoietic cell lineages. They predominantly affect patients over 60, are considered preleukemic conditions, and have high probability of transformation into ACUTE MYELOID LEUKEMIA.	0	2.08	1	0
Parasitemia The presence of parasites (especially malarial parasites) in the blood. (Dorland, 27th ed)	0	2.08	1	0
African Sleeping Sickness [description not available]	0	2.08	1	0
Anemia A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN.	0	2.08	1	0
Trypanosomiasis, African A disease endemic among people and animals in Central Africa. It is caused by various species of trypanosomes, particularly T. gambiense and T. rhodesiense. Its second host is the TSETSE FLY. Involvement of the central nervous system produces African sleeping sickness. Nagana is a rapidly fatal trypanosomiasis of horses and other animals.	0	2.08	1	0
Weight Gain Increase in BODY WEIGHT over existing weight.	0	5.98	14	2
Dental Fluoroses [description not available]	0	2.08	1	0
Fluorosis, Dental A chronic endemic form of hypoplasia of the dental enamel caused by drinking water with a high fluorine content during the time of tooth formation, and characterized by defective calcification that gives a white chalky appearance to the enamel, which gradually undergoes brown discoloration. (Jablonski's Dictionary of Dentistry, 1992, p286)	0	2.08	1	0
Basedow Disease [description not available]	0	2.7	3	0
Complications, Pregnancy [description not available]	0	2.08	1	0
Post-partum Thyroiditis [description not available]	0	2.08	1	0
Graves Disease A common form of hyperthyroidism with a diffuse hyperplastic GOITER. It is an autoimmune disorder that produces antibodies against the THYROID STIMULATING HORMONE RECEPTOR. These autoantibodies activate the TSH receptor, thereby stimulating the THYROID GLAND and hypersecretion of THYROID HORMONES. These autoantibodies can also affect the eyes (GRAVES OPHTHALMOPATHY) and the skin (Graves dermopathy).	0	2.7	3	0
Inflammatory Response Syndrome, Systemic [description not available]	0	12.52	20	10
MODS [description not available]	0	10.54	10	7
Critical Illness A disease or state in which death is possible or imminent.	0	10.41	13	1
Multiple Organ Failure A progressive condition usually characterized by combined failure of several organs such as the lungs, liver, kidney, along with some clotting mechanisms, usually postinjury or postoperative.	0	10.54	10	7
Systemic Inflammatory Response Syndrome A systemic inflammatory response to a variety of clinical insults, characterized by two or more of the following conditions: (1) fever	0	12.52	20	10
Injuries, Radiation [description not available]	0	6.99	6	3
Cirrhoses, Experimental Liver [description not available]	0	2.37	2	0
Mastitis INFLAMMATION of the BREAST, or MAMMARY GLAND.	0	2.1	1	0
HIV Coinfection [description not available]	0	5.57	3	2
HIV Infections Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).	0	5.57	3	2
Splenic Diseases Diseases involving the SPLEEN.	0	2.1	1	0
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	0	3.14	5	0
Alcoholic Hepatitis [description not available]	0	2.1	1	0
Diseases, Metabolic [description not available]	0	2.1	1	0
Hepatitis, Alcoholic INFLAMMATION of the LIVER due to ALCOHOL ABUSE. It is characterized by NECROSIS of HEPATOCYTES, infiltration by NEUTROPHILS, and deposit of MALLORY BODIES. Depending on its severity, the inflammatory lesion may be reversible or progress to LIVER CIRRHOSIS.	0	2.1	1	0
Metabolic Diseases Generic term for diseases caused by an abnormal metabolic process. It can be congenital due to inherited enzyme abnormality (METABOLISM, INBORN ERRORS) or acquired due to disease of an endocrine organ or failure of a metabolically important organ such as the liver. (Stedman, 26th ed)	0	2.1	1	0
Cancer of the Uterus [description not available]	0	4.7	3	2
Uterine Neoplasms Tumors or cancer of the UTERUS.	0	4.7	3	2
Diabetic Cardiomyopathies Diabetes complications in which VENTRICULAR REMODELING in the absence of CORONARY ATHEROSCLEROSIS and hypertension results in cardiac dysfunctions, typically LEFT VENTRICULAR DYSFUNCTION. The changes also result in myocardial hypertrophy, myocardial necrosis and fibrosis, and collagen deposition due to impaired glucose tolerance.	0	2.1	1	0
Infection, Toxoplasma gondii [description not available]	0	2.1	1	0
Toxoplasmosis The acquired form of infection by Toxoplasma gondii in animals and man.	0	7.1	1	0
Diathesis [description not available]	0	3.5	1	1
Clostridioides difficile Infection [description not available]	0	3.5	1	1
Besnoitiasis [description not available]	0	3.5	1	1
Poultry Diseases Diseases of birds which are raised as a source of meat or eggs for human consumption and are usually found in barnyards, hatcheries, etc. The concept is differentiated from BIRD DISEASES which is for diseases of birds not considered poultry and usually found in zoos, parks, and the wild.	0	4.43	2	2
Clostridium Infections Infections with bacteria of the genus CLOSTRIDIUM and closely related CLOSTRIDIOIDES species.	0	3.5	1	1
Enteritis Inflammation of any segment of the SMALL INTESTINE.	0	8.5	1	1
Arrhythmia [description not available]	0	2.42	2	0
Chylopericardium [description not available]	0	2.13	1	0
Arrhythmias, Cardiac Any disturbances of the normal rhythmic beating of the heart or MYOCARDIAL CONTRACTION. Cardiac arrhythmias can be classified by the abnormalities in HEART RATE, disorders of electrical impulse generation, or impulse conduction.	0	2.42	2	0
Pericardial Effusion Fluid accumulation within the PERICARDIUM. Serous effusions are associated with pericardial diseases. Hemopericardium is associated with trauma. Lipid-containing effusion (chylopericardium) results from leakage of THORACIC DUCT. Severe cases can lead to CARDIAC TAMPONADE.	0	2.13	1	0
Delayed Effects, Prenatal Exposure [description not available]	0	5.15	5	2
Hepatic Insufficiency Conditions in which the LIVER functions fall below the normal ranges. Severe hepatic insufficiency may cause LIVER FAILURE or DEATH. Treatment may include LIVER TRANSPLANTATION.	0	2.13	1	0
Leukocytosis A transient increase in the number of leukocytes in a body fluid.	0	2.13	1	0
Thrombocythemia [description not available]	0	2.13	1	0
Complications of Diabetes Mellitus [description not available]	0	2.5	2	0
Liver Dysfunction [description not available]	0	3.7	10	0
Liver Diseases Pathological processes of the LIVER.	0	3.7	10	0
Nasopharyngeal Carcinoma A carcinoma that originates in the EPITHELIUM of the NASOPHARYNX and includes four subtypes: keratinizing squamous cell, non-keratinizing, basaloid squamous cell, and PAPILLARY ADENOCARCINOMA. It is most prevalent in Southeast Asian populations and is associated with EPSTEIN-BARR VIRUS INFECTIONS. Somatic mutations associated with this cancer have been identified in NPCR, BAP1, UBAP1, ERBB2, ERBB3, MLL2, PIK3CA, KRAS, NRAS, and ARID1A genes.	0	7.11	1	0
Cancer of Nasopharynx [description not available]	0	2.43	2	0
Nasopharyngeal Neoplasms Tumors or cancer of the NASOPHARYNX.	0	2.43	2	0
Lassitude [description not available]	0	3.5	1	1
Fatigue The state of weariness following a period of exertion, mental or physical, characterized by a decreased capacity for work and reduced efficiency to respond to stimuli.	0	3.5	1	1
Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.	0	3.5	1	1
Anasarca [description not available]	0	2.5	2	0
Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.	0	2.5	2	0
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	0	2.53	2	0
High T4 Syndrome [description not available]	0	2.11	1	0
Euthyroid Sick Syndromes Conditions of abnormal THYROID HORMONES release in patients with apparently normal THYROID GLAND during severe systemic illness, physical TRAUMA, and psychiatric disturbances. It can be caused by the loss of endogenous hypothalamic input or by exogenous drug effects. The most common abnormality results in low T3 THYROID HORMONE with progressive decrease in THYROXINE; (T4) and TSH. Elevated T4 with normal T3 may be seen in diseases in which THYROXINE-BINDING GLOBULIN synthesis and release are increased.	0	2.11	1	0
Colorectal Cancer [description not available]	0	8.75	10	0
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	0	3.75	10	0
Arthritis, Degenerative [description not available]	0	2.42	2	0
Osteoarthritis A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans.	0	7.42	2	0
Insulin Sensitivity [description not available]	0	9.11	3	1
Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS.	0	4.11	3	1
Androgen-Independent Prostatic Cancer [description not available]	0	2.13	1	0
Prostatic Neoplasms, Castration-Resistant Tumors or cancer of the PROSTATE which can grow in the presence of low or residual amount of androgen hormones such as TESTOSTERONE.	1	4.13	1	0
Poisoning, Lead [description not available]	0	2.15	1	0
Lead Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds.	0	2.15	1	0
Endotoxin Shock [description not available]	0	10.09	13	10
Shock, Septic Sepsis associated with HYPOTENSION or hypoperfusion despite adequate fluid resuscitation. Perfusion abnormalities may include but are not limited to LACTIC ACIDOSIS; OLIGURIA; or acute alteration in mental status.	0	10.09	13	10
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	0	2.15	1	0
Cholera Infantum [description not available]	0	2.94	4	0
Adenocarcinoma, Basal Cell [description not available]	0	3.96	13	0
Acute Promyelocytic Leukemia [description not available]	0	4.11	15	0
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	0	3.96	13	0
Leukemia, Promyelocytic, Acute An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION.	0	4.11	15	0
Mesothelioma A tumor derived from mesothelial tissue (peritoneum, pleura, pericardium). It appears as broad sheets of cells, with some regions containing spindle-shaped, sarcoma-like cells and other regions showing adenomatous patterns. Pleural mesotheliomas have been linked to exposure to asbestos. (Dorland, 27th ed)	0	8.12	5	0
B16 Melanoma [description not available]	0	2.71	3	0
Abortion, Veterinary Premature expulsion of the FETUS in animals.	0	2.04	1	0
Endomyometritis Inflammation of both the ENDOMETRIUM and the MYOMETRIUM, usually caused by infections after a CESAREAN SECTION.	0	3.83	2	1
Endometritis Inflammation of the ENDOMETRIUM, usually caused by intrauterine infections. Endometritis is the most common cause of postpartum fever.	0	3.83	2	1
Testicular Diseases Pathological processes of the TESTIS.	0	2.46	2	0
Diffuse Mixed Small and Large Cell Lymphoma [description not available]	0	5.03	3	3
Lymphoma, Non-Hodgkin Any of a group of malignant tumors of lymphoid tissue that differ from HODGKIN DISEASE, being more heterogeneous with respect to malignant cell lineage, clinical course, prognosis, and therapy. The only common feature among these tumors is the absence of giant REED-STERNBERG CELLS, a characteristic of Hodgkin's disease.	0	5.03	3	3
Arteriosclerosis, Coronary [description not available]	0	3.43	1	1
Coronary Artery Disease Pathological processes of CORONARY ARTERIES that may derive from a congenital abnormality, atherosclerotic, or non-atherosclerotic cause.	0	3.43	1	1
Gastritis Inflammation of the GASTRIC MUCOSA, a lesion observed in a number of unrelated disorders.	0	2.05	1	0
Dehydration The condition that results from excessive loss of water from a living organism.	0	2.05	1	0
Adenoma, Prostatic [description not available]	0	2.46	2	0
Prostatic Hyperplasia Increase in constituent cells in the PROSTATE, leading to enlargement of the organ (hypertrophy) and adverse impact on the lower urinary tract function. This can be caused by increased rate of cell proliferation, reduced rate of cell death, or both.	0	2.46	2	0
Adverse Drug Event [description not available]	0	2.47	2	0
Experimental Radiation Injuries [description not available]	0	2.92	4	0
Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.	0	2.47	2	0
Acute Myelogenous Leukemia [description not available]	0	2.05	1	0
Leukemia, Myeloid, Acute Clonal expansion of myeloid blasts in bone marrow, blood, and other tissue. Myeloid leukemias develop from changes in cells that normally produce NEUTROPHILS; BASOPHILS; EOSINOPHILS; and MONOCYTES.	0	2.05	1	0
Acute Confusional Senile Dementia [description not available]	0	2.44	2	0
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.	0	2.05	1	0
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	0	2.44	2	0
Abnormalities, Autosome [description not available]	0	3.7	10	0
Endotoxemia A condition characterized by the presence of ENDOTOXINS in the blood. On lysis, the outer cell wall of gram-negative bacteria enters the systemic circulation and initiates a pathophysiologic cascade of pro-inflammatory mediators.	0	7.05	1	0
Chromosome Deletion Actual loss of portion of a chromosome.	0	2.05	1	0
Anemia, Hypochromic Anemia characterized by a decrease in the ratio of the weight of hemoglobin to the volume of the erythrocyte, i.e., the mean corpuscular hemoglobin concentration is less than normal. The individual cells contain less hemoglobin than they could have under optimal conditions. Hypochromic anemia may be caused by iron deficiency from a low iron intake, diminished iron absorption, or excessive iron loss. It can also be caused by infections or other diseases, therapeutic drugs, lead poisoning, and other conditions. (Stedman, 25th ed; from Miale, Laboratory Medicine: Hematology, 6th ed, p393)	0	2.05	1	0
Anemia, Macrocytic Anemia characterized by larger than normal erythrocytes, increased mean corpuscular volume (MCV) and increased mean corpuscular hemoglobin (MCH).	0	2.05	1	0
Chromosome-Defective Micronuclei [description not available]	0	2.72	3	0
Blood Pressure, Low [description not available]	0	2.45	2	0
Primary Peritonitis [description not available]	0	2.74	3	0
Hypotension Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients.	0	2.45	2	0
Peritonitis INFLAMMATION of the PERITONEUM lining the ABDOMINAL CAVITY as the result of infectious, autoimmune, or chemical processes. Primary peritonitis is due to infection of the PERITONEAL CAVITY via hematogenous or lymphatic spread and without intra-abdominal source. Secondary peritonitis arises from the ABDOMINAL CAVITY itself through RUPTURE or ABSCESS of intra-abdominal organs.	0	2.74	3	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	4.1	15	0
Cirrhosis [description not available]	0	2.05	1	0
Cardiac Arrest, Sudden [description not available]	0	2.05	1	0
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	0	2.05	1	0
Death, Sudden, Cardiac Unexpected rapid natural death due to cardiovascular collapse within one hour of initial symptoms. It is usually caused by the worsening of existing heart diseases. The sudden onset of symptoms, such as CHEST PAIN and CARDIAC ARRHYTHMIAS, particularly VENTRICULAR TACHYCARDIA, can lead to the loss of consciousness and cardiac arrest followed by biological death. (from Braunwald's Heart Disease: A Textbook of Cardiovascular Medicine, 7th ed., 2005)	0	2.05	1	0
Enteric Fever [description not available]	0	2.04	1	0
Typhoid Fever An acute systemic febrile infection caused by SALMONELLA TYPHI, a serotype of SALMONELLA ENTERICA.	0	2.04	1	0
Adnexal Diseases Diseases of the uterine appendages (ADNEXA UTERI) including diseases involving the OVARY, the FALLOPIAN TUBES, and ligaments of the uterus (BROAD LIGAMENT; ROUND LIGAMENT).	0	3.43	1	1
Cancer of Intestines [description not available]	0	2.05	1	0
Intestinal Neoplasms Tumors or cancer of the INTESTINES.	0	2.05	1	0
Experimental Neoplasms [description not available]	0	3.26	6	0
Apoplexy [description not available]	0	2.05	1	0
Arterial Obstructive Diseases [description not available]	0	2.05	1	0
Injury, Myocardial Reperfusion [description not available]	0	2.71	3	0
Arterial Occlusive Diseases Pathological processes which result in the partial or complete obstruction of ARTERIES. They are characterized by greatly reduced or absence of blood flow through these vessels. They are also known as arterial insufficiency.	0	2.05	1	0
Stroke A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810)	0	2.05	1	0
Milk-Alkali Syndrome [description not available]	0	2.05	1	0
Arteriosclerosis Thickening and loss of elasticity of the walls of ARTERIES of all sizes. There are many forms classified by the types of lesions and arteries involved, such as ATHEROSCLEROSIS with fatty lesions in the ARTERIAL INTIMA of medium and large muscular arteries.	0	2.42	2	0
Hypercalcemia Abnormally high level of calcium in the blood.	0	2.05	1	0
Asystole [description not available]	0	2.05	1	0
Heart Arrest Cessation of heart beat or MYOCARDIAL CONTRACTION. If it is treated within a few minutes, heart arrest can be reversed in most cases to normal cardiac rhythm and effective circulation.	1	4.05	1	0
Infections, Helicobacter [description not available]	0	2.44	2	0
Helicobacter Infections Infections with organisms of the genus HELICOBACTER, particularly, in humans, HELICOBACTER PYLORI. The clinical manifestations are focused in the stomach, usually the gastric mucosa and antrum, and the upper duodenum. This infection plays a major role in the pathogenesis of type B gastritis and peptic ulcer disease.	0	2.44	2	0
Palmoplantaris Pustulosis [description not available]	0	2.05	1	0
Psoriasis A common genetically determined, chronic, inflammatory skin disease characterized by rounded erythematous, dry, scaling patches. The lesions have a predilection for nails, scalp, genitalia, extensor surfaces, and the lumbosacral region. Accelerated epidermopoiesis is considered to be the fundamental pathologic feature in psoriasis.	0	2.05	1	0
Acute Brain Injuries [description not available]	0	2.45	2	0
Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits.	0	2.45	2	0
Experimental Hepatoma [description not available]	0	3.73	10	0
Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.	0	3.71	10	0
Female Genital Neoplasms [description not available]	0	4.73	2	1
Cancer of Head [description not available]	0	6.5	3	2
Genital Neoplasms, Female Tumor or cancer of the female reproductive tract (GENITALIA, FEMALE).	0	4.73	2	1
Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651)	0	6.5	3	2
Carcinoma, Epidermoid [description not available]	0	7.87	9	2
Dysphagia [description not available]	0	4.36	1	1
Asialia [description not available]	0	4.36	1	1
Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)	0	7.87	9	2
Deglutition Disorders Difficulty in SWALLOWING which may result from neuromuscular disorder or mechanical obstruction. Dysphagia is classified into two distinct types: oropharyngeal dysphagia due to malfunction of the PHARYNX and UPPER ESOPHAGEAL SPHINCTER; and esophageal dysphagia due to malfunction of the ESOPHAGUS.	0	4.36	1	1
Xerostomia Decreased salivary flow.	0	4.36	1	1
Mucositis An INFLAMMATION of the MUCOSA with burning or tingling sensation. It is characterized by atrophy of the squamous EPITHELIUM, vascular damage, inflammatory infiltration, and ulceration. It usually occurs at the mucous lining of the MOUTH, the GASTROINTESTINAL TRACT or the airway due to chemical irritations, CHEMOTHERAPY, or radiation therapy (RADIOTHERAPY).	0	4.36	1	1
Enterovirus Infections Diseases caused by ENTEROVIRUS.	0	3.38	2	0
Morbid Obesity [description not available]	0	2.05	1	0
Obesity, Morbid The condition of weighing two, three, or more times the ideal weight, so called because it is associated with many serious and life-threatening disorders. In the BODY MASS INDEX, morbid obesity is defined as having a BMI greater than 40.0 kg/m2.	0	2.05	1	0
Hormone-Dependent Neoplasms [description not available]	0	2.05	1	0
Encephalopathy, Toxic [description not available]	0	2.44	2	0
Trypanosomiasis Infection with protozoa of the genus TRYPANOSOMA.	0	2.06	1	0
Lymphocytopenia [description not available]	0	2.06	1	0
Lymphopenia Reduction in the number of lymphocytes.	0	2.06	1	0
Luft Disease [description not available]	0	2.47	2	0
Pigmentary Retinopathy [description not available]	0	2.47	2	0
Retinitis Pigmentosa Hereditary, progressive degeneration of the retina due to death of ROD PHOTORECEPTORS initially and subsequent death of CONE PHOTORECEPTORS. It is characterized by deposition of pigment in the retina.	0	2.47	2	0
Mitochondrial Myopathies A group of muscle diseases associated with abnormal mitochondria function.	0	2.47	2	0
Osteogenic Sarcoma [description not available]	0	2.44	2	0
Osteosarcoma A sarcoma originating in bone-forming cells, affecting the ends of long bones. It is the most common and most malignant of sarcomas of the bones, and occurs chiefly among 10- to 25-year-old youths. (From Stedman, 25th ed)	0	7.44	2	0
Electrolytes Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed)	0	7.06	1	0
Elevated Cholesterol [description not available]	0	2.07	1	0
Hypercholesterolemia A condition with abnormally high levels of CHOLESTEROL in the blood. It is defined as a cholesterol value exceeding the 95th percentile for the population.	0	2.07	1	0
Cardiac Hypertrophy Enlargement of the HEART due to chamber HYPERTROPHY, an increase in wall thickness without an increase in the number of cells (MYOCYTES, CARDIAC). It is the result of increase in myocyte size, mitochondrial and myofibrillar mass, as well as changes in extracellular matrix.	0	2.07	1	0
Cardiomegaly Enlargement of the HEART, usually indicated by a cardiothoracic ratio above 0.50. Heart enlargement may involve the right, the left, or both HEART VENTRICLES or HEART ATRIA. Cardiomegaly is a nonspecific symptom seen in patients with chronic systolic heart failure (HEART FAILURE) or several forms of CARDIOMYOPATHIES.	0	2.07	1	0
Intraepithelial Prostatic Neoplasia [description not available]	0	2.06	1	0
Germinoblastoma [description not available]	0	2.06	1	0
Condition, Preneoplastic [description not available]	0	2.7	3	0
Lymphoma A general term for various neoplastic diseases of the lymphoid tissue.	0	2.06	1	0
Precancerous Conditions Pathological conditions that tend eventually to become malignant.	0	2.7	3	0
Prostatic Intraepithelial Neoplasia A premalignant change arising in the prostatic epithelium, regarded as the most important and most likely precursor of prostatic adenocarcinoma. The neoplasia takes the form of an intra-acinar or ductal proliferation of secretory cells with unequivocal nuclear anaplasia, which corresponds to nuclear grade 2 and 3 invasive prostate cancer.	0	2.06	1	0
Angiogenesis, Pathologic [description not available]	0	2.43	2	0
Chromosomal Instability An increased tendency to acquire CHROMOSOME ABERRATIONS when various processes involved in chromosome replication, repair, or segregation are dysfunctional.	0	2.07	1	0
Absence Seizure [description not available]	0	2.72	3	0
Seizures Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder.	0	2.72	3	0
Atherosclerotic Parkinsonism [description not available]	0	2.07	1	0
Parkinson Disease, Secondary Conditions which feature clinical manifestations resembling primary Parkinson disease that are caused by a known or suspected condition. Examples include parkinsonism caused by vascular injury, drugs, trauma, toxin exposure, neoplasms, infections and degenerative or hereditary conditions. Clinical features may include bradykinesia, rigidity, parkinsonian gait, and masked facies. In general, tremor is less prominent in secondary parkinsonism than in the primary form. (From Joynt, Clinical Neurology, 1998, Ch38, pp39-42)	0	2.07	1	0
Age-Related Osteoporosis [description not available]	0	2.44	2	0
Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis.	0	2.44	2	0
Avian Diseases [description not available]	0	3.46	1	1
Poisoning, Fluoride [description not available]	0	2.07	1	0
Fluoride Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of FLUORIDE compounds.	0	2.07	1	0
Edema-Proteinuria-Hypertension Gestosis [description not available]	0	2.07	1	0
Pre-Eclampsia A complication of PREGNANCY, characterized by a complex of symptoms including maternal HYPERTENSION and PROTEINURIA with or without pathological EDEMA. Symptoms may range between mild and severe. Pre-eclampsia usually occurs after the 20th week of gestation, but may develop before this time in the presence of trophoblastic disease.	0	2.07	1	0
Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.	0	3.83	2	1
Hypertrophy General increase in bulk of a part or organ due to CELL ENLARGEMENT and accumulation of FLUIDS AND SECRETIONS, not due to tumor formation, nor to an increase in the number of cells (HYPERPLASIA).	0	2.07	1	0
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).	0	2.07	1	0
Stunted Growth [description not available]	0	2.08	1	0
Growth Disorders Deviations from the average values for a specific age and sex in any or all of the following: height, weight, skeletal proportions, osseous development, or maturation of features. Included here are both acceleration and retardation of growth.	0	2.08	1	0
Blood Clot [description not available]	0	2.08	1	0
Thrombosis Formation and development of a thrombus or blood clot in the blood vessel.	0	2.08	1	0
FMR1-Related Primary Ovarian Insufficiency [description not available]	0	2.07	1	0
Primary Ovarian Insufficiency Cessation of ovarian function after MENARCHE but before the age of 40, without or with OVARIAN FOLLICLE depletion. It is characterized by the presence of OLIGOMENORRHEA or AMENORRHEA, elevated GONADOTROPINS, and low ESTRADIOL levels. It is a state of female HYPERGONADOTROPIC HYPOGONADISM. Etiologies include genetic defects, autoimmune processes, chemotherapy, radiation, and infections. The most commonly known genetic cause is the expansion of a CGG repeat to 55 to 199 copies in the 5' untranslated region in the X-linked FMR1 gene.	0	2.07	1	0
Abnormalities, Drug-Induced Congenital abnormalities caused by medicinal substances or drugs of abuse given to or taken by the mother, or to which she is inadvertently exposed during the manufacture of such substances. The concept excludes abnormalities resulting from exposure to non-medicinal chemicals in the environment.	0	2.39	2	0
Autosomal Dominant Juvenile Parkinson Disease [description not available]	0	2.01	1	0
Parkinsonian Disorders A group of disorders which feature impaired motor control characterized by bradykinesia, MUSCLE RIGIDITY; TREMOR; and postural instability. Parkinsonian diseases are generally divided into primary parkinsonism (see PARKINSON DISEASE), secondary parkinsonism (see PARKINSON DISEASE, SECONDARY) and inherited forms. These conditions are associated with dysfunction of dopaminergic or closely related motor integration neuronal pathways in the BASAL GANGLIA.	0	2.01	1	0
Angiitis [description not available]	0	2.4	2	0
Vasculitis Inflammation of any one of the blood vessels, including the ARTERIES; VEINS; and rest of the vasculature system in the body.	0	7.4	2	0
Colitis, Granulomatous [description not available]	0	2.41	2	0
Crohn Disease A chronic transmural inflammation that may involve any part of the DIGESTIVE TRACT from MOUTH to ANUS, mostly found in the ILEUM, the CECUM, and the COLON. In Crohn disease, the inflammation, extending through the intestinal wall from the MUCOSA to the serosa, is characteristically asymmetric and segmental. Epithelioid GRANULOMAS may be seen in some patients.	0	2.41	2	0
Short Bowel Syndrome A malabsorption syndrome resulting from extensive operative resection of the SMALL INTESTINE, the absorptive region of the GASTROINTESTINAL TRACT.	0	2.01	1	0
Hypopharyngeal Cancer [description not available]	0	4.31	1	1
Edema, Laryngeal [description not available]	0	4.31	1	1
Hypopharyngeal Neoplasms Tumors or cancer of the HYPOPHARYNX.	0	4.31	1	1
Laryngeal Edema Abnormal accumulation of fluid in tissues of any part of the LARYNX, commonly associated with laryngeal injuries and allergic reactions.	0	4.31	1	1
Anterior Choroidal Artery Infarction [description not available]	0	2.01	1	0
Age-Related Memory Disorders [description not available]	0	2.01	1	0
Cerebral Infarction The formation of an area of NECROSIS in the CEREBRUM caused by an insufficiency of arterial or venous blood flow. Infarcts of the cerebrum are generally classified by hemisphere (i.e., left vs. right), lobe (e.g., frontal lobe infarction), arterial distribution (e.g., INFARCTION, ANTERIOR CEREBRAL ARTERY), and etiology (e.g., embolic infarction).	0	2.01	1	0
Memory Disorders Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.	0	2.01	1	0
Poisoning Used with drugs, chemicals, and industrial materials for human or animal poisoning, acute or chronic, whether the poisoning is accidental, occupational, suicidal, by medication error, or by environmental exposure.	0	3.2	6	0
Diabetes Mellitus A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE.	0	2.62	3	0
Diseases, Occupational [description not available]	0	1.94	1	0
Hepatitis INFLAMMATION of the LIVER.	0	1.94	1	0
Dyskinesia Syndromes [description not available]	0	2.02	1	0
Movement Disorders Syndromes which feature DYSKINESIAS as a cardinal manifestation of the disease process. Included in this category are degenerative, hereditary, post-infectious, medication-induced, post-inflammatory, and post-traumatic conditions.	0	2.02	1	0
Adenoma, Basal Cell [description not available]	0	3.79	2	1
Adenoma A benign epithelial tumor with a glandular organization.	0	3.79	2	1
Hyperoxia An abnormal increase in the amount of oxygen in the tissues and organs.	0	2.01	1	0
Disease, Pulmonary [description not available]	0	2.41	2	0
Lung Diseases Pathological processes involving any part of the LUNG.	0	2.41	2	0
Nervous System Disorders [description not available]	0	3.32	2	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	0	3.32	2	0
Rhabdomyosarcoma A malignant solid tumor arising from mesenchymal tissues which normally differentiate to form striated muscle. It can occur in a wide variety of sites. It is divided into four distinct types: pleomorphic, predominantly in male adults; alveolar (RHABDOMYOSARCOMA, ALVEOLAR), mainly in adolescents and young adults; embryonal (RHABDOMYOSARCOMA, EMBRYONAL), predominantly in infants and children; and botryoidal, also in young children. It is one of the most frequently occurring soft tissue sarcomas and the most common in children under 15. (From Dorland, 27th ed; Holland et al., Cancer Medicine, 3d ed, p2186; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, pp1647-9)	0	2.72	3	0
Soft Tissue Neoplasms Neoplasms of whatever cell type or origin, occurring in the extraskeletal connective tissue framework of the body including the organs of locomotion and their various component structures, such as nerves, blood vessels, lymphatics, etc.	0	2.72	3	0
Discitis Inflammation of an INTERVERTEBRAL DISC or disk space which may lead to disk erosion. Until recently, discitis has been defined as a nonbacterial inflammation and has been attributed to aseptic processes (e.g., chemical reaction to an injected substance). However, recent studies provide evidence that infection may be the initial cause, but perhaps not the promoter, of most cases of discitis. Discitis has been diagnosed in patients following discography, myelography, lumbar puncture, paravertebral injection, and obstetrical epidural anesthesia. Discitis following chemonucleolysis (especially with chymopapain) is attributed to chemical reaction by some and to introduction of microorganisms by others.	0	2.02	1	0
Cancer of the Tongue [description not available]	0	2.68	3	0
Tongue Neoplasms Tumors or cancer of the TONGUE.	0	2.68	3	0
Acute Edematous Pancreatitis [description not available]	0	6.16	9	4
Pancreatitis INFLAMMATION of the PANCREAS. Pancreatitis is classified as acute unless there are computed tomographic or endoscopic retrograde cholangiopancreatographic findings of CHRONIC PANCREATITIS (International Symposium on Acute Pancreatitis, Atlanta, 1992). The two most common forms of acute pancreatitis are ALCOHOLIC PANCREATITIS and gallstone pancreatitis.	0	6.16	9	4
Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.	0	9.48	5	1
Anoxemia [description not available]	0	2.02	1	0
Aura [description not available]	0	2.02	1	0
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	0	2.02	1	0
Epilepsy A disorder characterized by recurrent episodes of paroxysmal brain dysfunction due to a sudden, disorderly, and excessive neuronal discharge. Epilepsy classification systems are generally based upon: (1) clinical features of the seizure episodes (e.g., motor seizure), (2) etiology (e.g., post-traumatic), (3) anatomic site of seizure origin (e.g., frontal lobe seizure), (4) tendency to spread to other structures in the brain, and (5) temporal patterns (e.g., nocturnal epilepsy). (From Adams et al., Principles of Neurology, 6th ed, p313)	0	2.02	1	0
Chromosomal Breakage [description not available]	0	3.33	2	0
Dermatoses [description not available]	0	2.02	1	0
Hypotrichosis Presence of less than the normal amount of hair. (Dorland, 27th ed)	0	2.02	1	0
Skin Diseases Diseases involving the DERMIS or EPIDERMIS.	0	2.02	1	0
Cancer of Mouth [description not available]	0	6.05	3	2
Mouth Neoplasms Tumors or cancer of the MOUTH.	0	6.05	3	2
Halitosis An offensive, foul breath odor resulting from a variety of causes such as poor oral hygiene, dental or oral infections, or the ingestion of certain foods.	0	2.02	1	0
Burns Injuries to tissues caused by contact with heat, steam, chemicals (BURNS, CHEMICAL), electricity (BURNS, ELECTRIC), or the like.	0	2.71	3	0
Plant Poisoning Poisoning by the ingestion of plants or its leaves, berries, roots or stalks. The manifestations in both humans and animals vary in severity from mild to life threatening. In animals, especially domestic animals, it is usually the result of ingesting moldy or fermented forage.	0	2.03	1	0
Campylobacter Infection [description not available]	0	2.03	1	0
Absence Status [description not available]	0	2.03	1	0
Status Epilepticus A prolonged seizure or seizures repeated frequently enough to prevent recovery between episodes occurring over a period of 20-30 minutes. The most common subtype is generalized tonic-clonic status epilepticus, a potentially fatal condition associated with neuronal injury and respiratory and metabolic dysfunction. Nonconvulsive forms include petit mal status and complex partial status, which may manifest as behavioral disturbances. Simple partial status epilepticus consists of persistent motor, sensory, or autonomic seizures that do not impair cognition (see also EPILEPSIA PARTIALIS CONTINUA). Subclinical status epilepticus generally refers to seizures occurring in an unresponsive or comatose individual in the absence of overt signs of seizure activity. (From N Engl J Med 1998 Apr 2;338(14):970-6; Neurologia 1997 Dec;12 Suppl 6:25-30)	0	2.03	1	0
Coagulation, Disseminated Intravascular [description not available]	0	7.46	4	4
Disseminated Intravascular Coagulation A disorder characterized by procoagulant substances entering the general circulation causing a systemic thrombotic process. The activation of the clotting mechanism may arise from any of a number of disorders. A majority of the patients manifest skin lesions, sometimes leading to PURPURA FULMINANS.	0	7.46	4	4
Experimental Lung Inflammation Inflammation of any part, segment or lobe, of the lung parenchyma.	0	2.4	2	0
Pneumonia Infection of the lung often accompanied by inflammation.	0	2.4	2	0
Heart Disease, Ischemic [description not available]	0	2.4	2	0
Myocardial Ischemia A disorder of cardiac function caused by insufficient blood flow to the muscle tissue of the heart. The decreased blood flow may be due to narrowing of the coronary arteries (CORONARY ARTERY DISEASE), to obstruction by a thrombus (CORONARY THROMBOSIS), or less commonly, to diffuse narrowing of arterioles and other small vessels within the heart. Severe interruption of the blood supply to the myocardial tissue may result in necrosis of cardiac muscle (MYOCARDIAL INFARCTION).	0	2.4	2	0
Mucositis, Oral [description not available]	0	2.03	1	0
Stomatitis INFLAMMATION of the soft tissues of the MOUTH, such as MUCOSA; PALATE; GINGIVA; and LIP.	0	2.03	1	0
Classic Galactosemia [description not available]	0	2.03	1	0
Galactosemias A group of inherited enzyme deficiencies which feature elevations of GALACTOSE in the blood. This condition may be associated with deficiencies of GALACTOKINASE; UDPGLUCOSE-HEXOSE-1-PHOSPHATE URIDYLYLTRANSFERASE; or UDPGLUCOSE 4-EPIMERASE. The classic form is caused by UDPglucose-Hexose-1-Phosphate Uridylyltransferase deficiency, and presents in infancy with FAILURE TO THRIVE; VOMITING; and INTRACRANIAL HYPERTENSION. Affected individuals also may develop MENTAL RETARDATION; JAUNDICE; hepatosplenomegaly; ovarian failure (PRIMARY OVARIAN INSUFFICIENCY); and cataracts. (From Menkes, Textbook of Child Neurology, 5th ed, pp61-3)	0	2.03	1	0
Ascites Accumulation or retention of free fluid within the peritoneal cavity.	0	2.04	1	0
White Muscle Disease A myodegeneration most frequent in calves and lambs whose dams have been fed during gestation or longer on feeds, especially legumes (FABACEAE), grown in certain areas where selenium is either deficient or unavailable in the soil. It has been recorded in many countries. It has been produced experimentally in several species of animals on low-selenium intake. A similar myopathy occurs naturally in goats, deer, foals, and dogs but proof of the etiology is lacking. (Merck Veterinary Manual, 5th ed)	0	2.04	1	0
Injuries, Spinal Cord [description not available]	0	2.04	1	0
Spinal Cord Injuries Penetrating and non-penetrating injuries to the spinal cord resulting from traumatic external forces (e.g., WOUNDS, GUNSHOT; WHIPLASH INJURIES; etc.).	0	2.04	1	0
Fasting Hypoglycemia HYPOGLYCEMIA expressed in the postabsorptive state, after prolonged FASTING, or an overnight fast.	0	2.04	1	0
Hypoglycemia A syndrome of abnormally low BLOOD GLUCOSE level. Clinical hypoglycemia has diverse etiologies. Severe hypoglycemia eventually lead to glucose deprivation of the CENTRAL NERVOUS SYSTEM resulting in HUNGER; SWEATING; PARESTHESIA; impaired mental function; SEIZURES; COMA; and even DEATH.	0	2.04	1	0
Ewing Sarcoma [description not available]	0	2.04	1	0
Sarcoma, Ewing A malignant tumor of the bone which always arises in the medullary tissue, occurring more often in cylindrical bones. The tumor occurs usually before the age of 20, about twice as frequently in males as in females.	0	2.04	1	0
Cretinism [description not available]	0	1.98	1	0
Cystic Fibrosis of Pancreas [description not available]	0	3.77	2	1
Deficiency, Vitamin E [description not available]	0	2.68	3	0
Congenital Hypothyroidism A condition in infancy or early childhood due to an in-utero deficiency of THYROID HORMONES that can be caused by genetic or environmental factors, such as thyroid dysgenesis or HYPOTHYROIDISM in infants of mothers treated with THIOURACIL during pregnancy. Endemic cretinism is the result of iodine deficiency. Clinical symptoms include severe MENTAL RETARDATION, impaired skeletal development, short stature, and MYXEDEMA.	0	6.98	1	0
Cystic Fibrosis An autosomal recessive genetic disease of the EXOCRINE GLANDS. It is caused by mutations in the gene encoding the CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR expressed in several organs including the LUNG, the PANCREAS, the BILIARY SYSTEM, and the SWEAT GLANDS. Cystic fibrosis is characterized by epithelial secretory dysfunction associated with ductal obstruction resulting in AIRWAY OBSTRUCTION; chronic RESPIRATORY INFECTIONS; PANCREATIC INSUFFICIENCY; maldigestion; salt depletion; and HEAT PROSTRATION.	0	8.77	2	1
Atrophy Decrease in the size of a cell, tissue, organ, or multiple organs, associated with a variety of pathological conditions such as abnormal cellular changes, ischemia, malnutrition, or hormonal changes.	0	2.39	2	0
Cancer of the Thyroid [description not available]	0	2.39	2	0
Thyroid Neoplasms Tumors or cancer of the THYROID GLAND.	0	2.39	2	0
Thyroid Nodule A small circumscribed mass in the THYROID GLAND that can be of neoplastic growth or non-neoplastic abnormality. It lacks a well-defined capsule or glandular architecture. Thyroid nodules are often benign but can be malignant. The growth of nodules can lead to a multinodular goiter (GOITER, NODULAR).	0	1.98	1	0
Muscle Disorders [description not available]	0	1.98	1	0
Muscular Diseases Acquired, familial, and congenital disorders of SKELETAL MUSCLE and SMOOTH MUSCLE.	0	1.98	1	0
Cardiovascular Stroke [description not available]	0	5.38	5	3
Myocardial Infarction NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).	0	10.38	5	3
Carcinoma, Oat Cell [description not available]	0	1.98	1	0
Carcinoma, Small Cell An anaplastic, highly malignant, and usually bronchogenic carcinoma composed of small ovoid cells with scanty neoplasm. It is characterized by a dominant, deeply basophilic nucleus, and absent or indistinct nucleoli. (From Stedman, 25th ed; Holland et al., Cancer Medicine, 3d ed, p1286-7)	0	1.98	1	0
Leukemia L 1210 [description not available]	0	3.08	5	0
Sarcoma 180 An experimental sarcoma of mice.	0	1.98	1	0
Deficiency, Vitamin B 12 [description not available]	0	2.39	2	0
Vitamin B 12 Deficiency A nutritional condition produced by a deficiency of VITAMIN B 12 in the diet, characterized by megaloblastic anemia. Since vitamin B 12 is not present in plants, humans have obtained their supply from animal products, from multivitamin supplements in the form of pills, and as additives to food preparations. A wide variety of neuropsychiatric abnormalities is also seen in vitamin B 12 deficiency and appears to be due to an undefined defect involving myelin synthesis. (From Cecil Textbook of Medicine, 19th ed, p848)	0	2.39	2	0
Chronic Kidney Failure [description not available]	0	4.07	3	1
Kidney Failure, Chronic The end-stage of CHRONIC RENAL INSUFFICIENCY. It is characterized by the severe irreversible kidney damage (as measured by the level of PROTEINURIA) and the reduction in GLOMERULAR FILTRATION RATE to less than 15 ml per min (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002). These patients generally require HEMODIALYSIS or KIDNEY TRANSPLANTATION.	0	4.07	3	1
Nodular Goiter [description not available]	0	1.98	1	0
Goiter, Nodular An enlarged THYROID GLAND containing multiple nodules (THYROID NODULE), usually resulting from recurrent thyroid HYPERPLASIA and involution over many years to produce the irregular enlargement. Multinodular goiters may be nontoxic or may induce THYROTOXICOSIS.	0	1.98	1	0
Thyroid Diseases Pathological processes involving the THYROID GLAND.	0	1.98	1	0
Neoplasms, Pleural [description not available]	0	2.38	2	0
Experimental Mammary Neoplasms [description not available]	0	3.77	11	0
Hyperplasia An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells.	0	1.98	1	0
Diabetic Glomerulosclerosis [description not available]	0	3.37	1	1
Asymmetric Diabetic Proximal Motor Neuropathy [description not available]	0	3.37	1	1
Diabetic Nephropathies KIDNEY injuries associated with diabetes mellitus and affecting KIDNEY GLOMERULUS; ARTERIOLES; KIDNEY TUBULES; and the interstitium. Clinical signs include persistent PROTEINURIA, from microalbuminuria progressing to ALBUMINURIA of greater than 300 mg/24 h, leading to reduced GLOMERULAR FILTRATION RATE and END-STAGE RENAL DISEASE.	0	3.37	1	1
Diabetic Neuropathies Peripheral, autonomic, and cranial nerve disorders that are associated with DIABETES MELLITUS. These conditions usually result from diabetic microvascular injury involving small blood vessels that supply nerves (VASA NERVORUM). Relatively common conditions which may be associated with diabetic neuropathy include third nerve palsy (see OCULOMOTOR NERVE DISEASES); MONONEUROPATHY; mononeuropathy multiplex; diabetic amyotrophy; a painful POLYNEUROPATHY; autonomic neuropathy; and thoracoabdominal neuropathy. (From Adams et al., Principles of Neurology, 6th ed, p1325)	0	3.37	1	1
Mastitis, Bovine INFLAMMATION of the UDDER in cows.	0	1.98	1	0
Acquired Immune Deficiency Syndrome [description not available]	0	1.99	1	0
Viral Diseases [description not available]	0	1.99	1	0
Acquired Immunodeficiency Syndrome An acquired defect of cellular immunity associated with infection by the human immunodeficiency virus (HIV), a CD4-positive T-lymphocyte count under 200 cells/microliter or less than 14% of total lymphocytes, and increased susceptibility to opportunistic infections and malignant neoplasms. Clinical manifestations also include emaciation (wasting) and dementia. These elements reflect criteria for AIDS as defined by the CDC in 1993.	0	1.99	1	0
Virus Diseases A general term for diseases caused by viruses.	0	1.99	1	0
Uremia A clinical syndrome associated with the retention of renal waste products or uremic toxins in the blood. It is usually the result of RENAL INSUFFICIENCY. Most uremic toxins are end products of protein or nitrogen CATABOLISM, such as UREA or CREATININE. Severe uremia can lead to multiple organ dysfunctions with a constellation of symptoms.	0	3.37	1	1
Leukemia, Lymphocytic, T Cell [description not available]	0	1.99	1	0
Leukemia, T-Cell A malignant disease of the T-LYMPHOCYTES in the bone marrow, thymus, and/or blood.	0	1.99	1	0
Hemorrhagic Fever, Epidemic [description not available]	0	1.99	1	0
Hemorrhagic Fever with Renal Syndrome An acute febrile disease occurring predominately in Asia. It is characterized by fever, prostration, vomiting, hemorrhagic phenonema, shock, and renal failure. It is caused by any one of several closely related species of the genus Hantavirus. The most severe form is caused by HANTAAN VIRUS whose natural host is the rodent Apodemus agrarius. Milder forms are caused by SEOUL VIRUS and transmitted by the rodents Rattus rattus and R. norvegicus, and the PUUMALA VIRUS with transmission by Clethrionomys galreolus.	0	1.99	1	0
Blood Diseases [description not available]	0	2.91	1	0
Hematologic Diseases Disorders of the blood and blood forming tissues.	0	2.91	1	0
Gastroenteritis INFLAMMATION of any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM. Causes of gastroenteritis are many including genetic, infection, HYPERSENSITIVITY, drug effects, and CANCER.	0	2.91	1	0
Rheumatoid Arthritis [description not available]	0	3.38	1	1
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.	0	3.38	1	1
BH4 Deficiency [description not available]	0	1.99	1	0
Phenylketonurias A group of autosomal recessive disorders marked by a deficiency of the hepatic enzyme PHENYLALANINE HYDROXYLASE or less frequently by reduced activity of DIHYDROPTERIDINE REDUCTASE (i.e., atypical phenylketonuria). Classical phenylketonuria is caused by a severe deficiency of phenylalanine hydroxylase and presents in infancy with developmental delay; SEIZURES; skin HYPOPIGMENTATION; ECZEMA; and demyelination in the central nervous system. (From Adams et al., Principles of Neurology, 6th ed, p952).	0	1.99	1	0
Cancer of Rectum [description not available]	0	1.99	1	0
Rectal Neoplasms Tumors or cancer of the RECTUM.	0	1.99	1	0
Dysentery, Shiga bacillus [description not available]	0	1.99	1	0
Dysentery, Bacillary DYSENTERY caused by gram-negative rod-shaped enteric bacteria (ENTEROBACTERIACEAE), most often by the genus SHIGELLA. Shigella dysentery, Shigellosis, is classified into subgroups according to syndrome severity and the infectious species. Group A: SHIGELLA DYSENTERIAE (severest); Group B: SHIGELLA FLEXNERI; Group C: SHIGELLA BOYDII; and Group D: SHIGELLA SONNEI (mildest).	0	1.99	1	0
Age-Related Macular Degeneration [description not available]	0	1.99	1	0
Macular Degeneration Degenerative changes in the RETINA usually of older adults which results in a loss of vision in the center of the visual field (the MACULA LUTEA) because of damage to the retina. It occurs in dry and wet forms.	0	1.99	1	0
Convulsions, Grand Mal [description not available]	0	1.99	1	0
Epilepsy, Tonic-Clonic A generalized seizure disorder characterized by recurrent major motor seizures. The initial brief tonic phase is marked by trunk flexion followed by diffuse extension of the trunk and extremities. The clonic phase features rhythmic flexor contractions of the trunk and limbs, pupillary dilation, elevations of blood pressure and pulse, urinary incontinence, and tongue biting. This is followed by a profound state of depressed consciousness (post-ictal state) which gradually improves over minutes to hours. The disorder may be cryptogenic, familial, or symptomatic (caused by an identified disease process). (From Adams et al., Principles of Neurology, 6th ed, p329)	0	1.99	1	0
Infections, Respiratory Syncytial Virus [description not available]	0	3.38	1	1
Bronchiolitis, Viral An acute inflammatory disease of the lower RESPIRATORY TRACT, caused by paramyxoviruses, occurring primarily in infants and young children; the viruses most commonly implicated are PARAINFLUENZA VIRUS TYPE 3; RESPIRATORY SYNCYTIAL VIRUS, HUMAN; and METAPNEUMOVIRUS.	0	3.38	1	1
Respiratory Syncytial Virus Infections Pneumovirus infections caused by the RESPIRATORY SYNCYTIAL VIRUSES. Humans and cattle are most affected but infections in goats and sheep have been reported.	0	3.38	1	1
Salmonella Infections, Animal Infections in animals with bacteria of the genus SALMONELLA.	0	2	1	0
Chronic Hepatitis C [description not available]	0	3.38	1	1
Hepatitis C, Chronic INFLAMMATION of the LIVER in humans that is caused by HEPATITIS C VIRUS lasting six months or more. Chronic hepatitis C can lead to LIVER CIRRHOSIS.	0	3.38	1	1
Injuries, Multiple [description not available]	0	2	1	0
Cardiac Failure [description not available]	0	3.38	1	1
Atrioventricular Nodal Re-Entrant Tachycardia [description not available]	0	3.38	1	1
Heart Failure A heterogeneous condition in which the heart is unable to pump out sufficient blood to meet the metabolic need of the body. Heart failure can be caused by structural defects, functional abnormalities (VENTRICULAR DYSFUNCTION), or a sudden overload beyond its capacity. Chronic heart failure is more common than acute heart failure which results from sudden insult to cardiac function, such as MYOCARDIAL INFARCTION.	0	3.38	1	1
Tachycardia, Ventricular An abnormally rapid ventricular rhythm usually in excess of 150 beats per minute. It is generated within the ventricle below the BUNDLE OF HIS, either as autonomic impulse formation or reentrant impulse conduction. Depending on the etiology, onset of ventricular tachycardia can be paroxysmal (sudden) or nonparoxysmal, its wide QRS complexes can be uniform or polymorphic, and the ventricular beating may be independent of the atrial beating (AV dissociation).	0	3.38	1	1
Granulocytic Leukemia [description not available]	0	2	1	0
Leukemia, Myeloid Form of leukemia characterized by an uncontrolled proliferation of the myeloid lineage and their precursors (MYELOID PROGENITOR CELLS) in the bone marrow and other sites.	0	2	1	0
Edema, Pulmonary [description not available]	0	2	1	0
Pulmonary Edema Excessive accumulation of extravascular fluid in the lung, an indication of a serious underlying disease or disorder. Pulmonary edema prevents efficient PULMONARY GAS EXCHANGE in the PULMONARY ALVEOLI, and can be life-threatening.	0	2	1	0
Moniliasis, Oral [description not available]	0	2	1	0
Candidiasis, Oral Infection of the mucous membranes of the mouth by a fungus of the genus CANDIDA. (Dorland, 27th ed)	0	2	1	0
Stomatitis, Denture Inflammation of the mouth due to denture irritation.	0	2	1	0
Metastase [description not available]	0	2	1	0
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	0	2	1	0
Mycoplasma dispar Infection [description not available]	0	3.79	2	1
Experimental Leukemia [description not available]	0	1.98	1	0
Cancer of Pancreas [description not available]	0	1.98	1	0
Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).	0	1.98	1	0
Batten Turner Congenital Myopathy [description not available]	0	1.98	1	0
Swine Diseases Diseases of domestic swine and of the wild boar of the genus Sus.	0	1.97	1	0
Neoplasms, Nervous System [description not available]	0	1.97	1	0
A-alphalipoprotein Neuropathy [description not available]	0	1.97	1	0
Delayed Hypersensitivity [description not available]	0	1.97	1	0
Congenital Myotonic Dystrophy [description not available]	0	3.36	1	1
Myotonic Dystrophy Neuromuscular disorder characterized by PROGRESSIVE MUSCULAR ATROPHY; MYOTONIA, and various multisystem atrophies. Mild INTELLECTUAL DISABILITY may also occur. Abnormal TRINUCLEOTIDE REPEAT EXPANSION in the 3' UNTRANSLATED REGIONS of DMPK PROTEIN gene is associated with Myotonic Dystrophy 1. DNA REPEAT EXPANSION of zinc finger protein-9 gene intron is associated with Myotonic Dystrophy 2.	0	8.36	1	1
Bacterial Disease [description not available]	0	1.97	1	0
Abscess, Pulmonary [description not available]	0	1.97	1	0
Bacterial Infections Infections by bacteria, general or unspecified.	0	1.97	1	0
Lung Abscess Solitary or multiple collections of PUS within the lung parenchyma as a result of infection by bacteria, protozoa, or other agents.	0	1.97	1	0

sodium selenite

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Occurs in Manufacturing (22 Items)

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Studies (1,852)

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Research Demand Index: 61.09

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Trial Overview

sodium selenite

Description

Cross-References

Synonyms (56)

Research Excerpts

Overview

Effects

Actions

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Occurs in Manufacturing (22 Items)

Roles (1)

Drug Classes (2)

Protein Targets (9)

Potency Measurements

Biological Processes (18)

Molecular Functions (8)

Ceullar Components (10)

Bioassays (64)

Research

Studies (1,852)

Market Indicators

Research Demand Index: 61.09

Study Types

Clinical Trials (15)

Trial Overview

Related Drugs (714)

Related Conditions (560)