Compounds > laccase
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laccase

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Description

Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID3013170
MeSH IDM0083360

Synonyms (3)

Synonym
hericium erinaceum laccase
laccase
(2s)-1-[(2s,3s)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl

Research Excerpts

Overview

Laccase3 is an important virulence factor of the fungus Cryphonectria parasitica. Laccase is a key enzyme in the fungal 1,8-dihydroxynaphthalene (DHN) melanin biosynthesis pathway.

ExcerptReferenceRelevance
"Laccase3 is an important virulence factor of the fungus Cryphonectria parasitica. "( Interaction between hypoviral-regulated fungal virulence factor laccase3 and small heat shock protein Hsp24 from the chestnut blight fungus Cryphonectria parasitica.
Chun, J; Kim, DH; Ko, YH, 2022)		2.4
"Laccase is a promising biocatalyst for pollutant degradation and water purification. "( Biomass-derived nanocellulose aerogel enable highly efficient immobilization of laccase for the degradation of organic pollutants.
Alfred, M; Feng, Q; Jiang, Y; Lv, P; Wei, Q; Wu, D; Yang, H, 2022)		2.39
"Laccase is a copper-containing polyphenol oxidase found in different organisms. "( Characterization of plant laccase genes and their functions.
Ali, S; Bai, Y; Liu, S; Tang, Y; Zhou, J, 2023)		2.65
"Laccase is a diverse enzyme/biocatalyst belonging to the oxidoreductase group of enzymes produced by microorganisms."( Laccase: A potential biocatalyst for pollutant degradation.
Anisha, GS; Chen, CW; Dong, CD; Haldar, D; Patel, AK; Singh, A; Singhania, RR; Tiwari, A, 2023)		3.07
"Laccase is a key enzyme in the fungal 1,8-dihydroxynaphthalene (DHN) melanin biosynthesis pathway, which is a potential target for the control of pathogenic fungi. "( Rational design and identification of novel thiosemicarbazide derivatives as laccase inhibitors.
Cui, J; Jin, X; Ling, Y; Liu, X; Lu, X; Sun, T; Xu, H; Yang, X; Zhang, L; Zhang, X, 2023)		2.58
"Laccase is an enzyme that can degrade azo dyes and various toxic organic pollutants."( Introduction of an Ambient 3D-Printable Hydrogel Ink to Fabricate an Enzyme-Immobilized Platform with Tunable Geometry for Heterogeneous Biocatalysis.
Hoven, VP; Painmanakul, P; Pinyakit, Y; Romphophak, P, 2023)		1.63
"Laccase is an important enzyme used in many industries because of its multi-substrate catalyst. "( Dye decolorization of magnetically retrievable formulation of laccase with amine-functionalized microparticles.
Aytar Çelik, P; Çabuk, A; Demirbilek, M; Gedikli, S; Korkmaz, F; Nural Yaman, B, 2023)		2.59
"Laccase is an efficient biocatalyst for oxidative polymerization of organic substrates. "( Immobilization of laccase on magnetic nanoparticles for enhanced polymerization of phenols.
Chen, T; Lin, J; Xu, L; Xu, X, 2024)		3.22
"Laccase is an efficient green biocatalyst, widely used for the degradation of various organic pollutants. "( Immobilization of laccase on magnetic mesoporous silica as a recoverable biocatalyst for the efficient degradation of benzo[a]pyrene.
Dong, W; Hu, X; Wu, Q; Yan, J; Yang, Y, 2024)		3.22
"Laccase is an oxidative enzyme which can carry out single-electron oxidations of phenols and related compounds by reducing molecular oxygen."( Laccase-Mediated Catalyzed Fluorescent Reporter Deposition for Live-Cell Imaging.
Cisneros, BT; Devaraj, NK, 2020)		2.72
"Laccases are a group of enzymes with a critical activity in the degradation process of both phenolic and non-phenolic compounds. "( Using Chou's General Pseudo Amino Acid Composition to Classify Laccases from Bacterial and Fungal Sources via Chou's Five-Step Rule.
Behbahani, M; Mohabatkar, H; Moradi, M; Nosrati, M, 2020)		2.24
"Laccase, which is an MCO derived from the thermophilic fungus Trametes versicolor, was also studied."( Electrochemical characteristics of a hyperthermophilic enzyme in microdroplets stirred and heated by surface acoustic waves.
Amaya, S; Saiki, T; Sakamoto, H; Satomura, T; Shoji, H; Suye, SI; Takamura, E, 2020)		1.28
"Laccases are a group of copper-containing oxidase enzymes found in aquatic and terrestrial environment. "( Coupling of natural organic matter-metal binding and laccase-catalyzed oxidation of tetrabromobisphenol A.
Lu, J; Yang, P; Zhang, T, 2020)		2.25
"The laccase enzyme is an oxidoreductase capable of oxidizing phenolic and non-phenolic compounds that have been considered an essential tool in the fields currently known as white biotechnology and green chemistry."( Exploring current tendencies in techniques and materials for immobilization of laccases - A review.
Alvarado-Ramírez, L; Barceló, D; Castillo-Zacarías, C; Iqbal, HMN; Parra-Saldívar, R; Rodríguez-Rodríguez, J; Rostro-Alanis, M; Sosa-Hernández, JE, 2021)		1.33
"Laccase is a widely-used environment-friendly copper-containing oxidase found in many plants, insects and fungi. "( [Bioinformatic analysis and characterization of myxobacteria laccase-like multicopper oxidases].
Chang, F; Fang, Z; Xiao, Y; Zhang, Y; Zhao, X, 2017)		2.14
"Laccase is a multicopper oxidase containing four coppers as reaction sites, including one type 1, one type 2, and two type 3. "( Inactivation of Laccase by the Attack of As (III) Reaction in Water.
Dong, S; Hu, J; Huang, Q; Lu, K; Mao, L, 2018)		2.27
"Laccase (EC 1.10.3.2) is a phenoloxidase found in many insect species. "( Laccase 1 gene from Plutella xylostella (PxLac1) and its functions in humoral immune response.
Chen, XX; Hu, RM; Huang, JH; Shi, M; Wang, ZH; Ye, XQ, )		3.02
"Laccase is a promiscuous enzyme that catalyzes the polymerization of a wide range of phenolic substrates. "( Can Laccase-Assisted Processing Conditions Influence the Structure of the Reaction Products?
Cavaco-Paulo, A; Fu, J; Silva, C; Su, J, 2019)		2.51
"Laccase (EC 1.10.3.2) is a member of multicopper oxidases that have been found in higher plants, fungus, bacterium, and insects. "( Laccase2 is required for sclerotization and pigmentation of Aedes albopictus eggshell.
Gan, M; He, A; Li, Z; Wu, X; Wu, Y; Zhan, X; Zhang, D; Zhang, M; Zheng, X, 2013)		3.28
"This laccase was found to be a monomeric protein with a molecular mass of about 71 kDa estimated by SDS-PAGE."( Purification and characterization of the extracellular laccase produced by Trametes polyzona WR710-1 under solid-state fermentation.
Asada, Y; Chairin, T; Khanongnuch, C; Lumyong, S; Nitheranont, T; Watanabe, A, 2014)		1.1
"Laccase is a multi-copper containing protein that catalyzes the oxidation of a wide range of aromatic substrates concomitantly with the reduction of molecular oxygen to water."( Degradation of various dyes using Laccase enzyme.
Dhaarani, S; Kartic, DN; Priya, AK; Rajan, TV, 2012)		1.38
"Laccase treatment is a promising approach to remove lignin from prehydrolysis liquor (PHL) for value added utilization of hemicellulose rich waste streams. "( Modeling laccase-induced lignin removal in prehydrolysis liquor from kraft-based dissolving pulp production.
Chen, J; Liu, S; Wang, Q; Yang, G, 2015)		2.28
"Laccase is a multicopper oxidase that catalyzes the oxidation of phenolic compounds. "( Aldehyde PEGylation of laccase from Trametes versicolor in route to increase its stability: effect on enzymatic activity.
González-González, M; Mayolo-Deloisa, K; Rito-Palomares, M; Simental-Martínez, J, 2015)		2.17
"Laccase is a unique, environmentally friendly and efficient biocatalyst that can degrade pollutants."( Ionic polymer-coated laccase with high activity and enhanced stability: application in the decolourisation of water containing AO7.
Hua, M; Lv, L; Pan, B; Zhang, X, 2015)		1.46
"Laccase is an enzyme that catalyzes oxidation of phenolic compounds, diamines and aromatic amines. "( Enzymological Characterization of Atm, the First Laccase from Agrobacterium sp. S5-1, with the Ability to Enhance In Vitro digestibility of Maize Straw.
Si, W; Wang, L; Wu, Z; Yang, M; Zhao, X, 2015)		2.11
"Laccases are a type of extracellular enzyme produced by fungi, bacteria, and plants. "( Formation of Halogenated Polyaromatic Compounds by Laccase Catalyzed Transformation of Halophenols.
Huang, Q; Liu, H; Lu, J; Shao, J; Wang, Z, 2015)		2.11
"Laccase is a key enzyme in the degradation of lignin by fungi. "( Inconsistencies and ambiguities in calculating enzyme activity: The case of laccase.
Baltierra-Trejo, E; Márquez-Benavides, L; Sánchez-Yáñez, JM, 2015)		2.09
"Laccase is a green biocatalyst. "( Co-immobilization of laccase and mediator through a self-initiated one-pot process for enhanced conversion of malachite green.
Huang, W; Sun, H; Yang, H; Zhang, S, 2016)		2.2
"Laccases are a class of multi-copper oxidases with industrial potential. "( Laccase Gene Family in Cerrena sp. HYB07: Sequences, Heterologous Expression and Transcriptional Analysis.
Lin, J; Ng, TB; Xu, X; Yang, J; Ye, X, 2016)		3.32
"Laccase is a widely present extracellular phenoloxidase excreted by fungi, bacteria, and high plants. "( Transformation of triclosan by laccase catalyzed oxidation: The influence of humic acid-metal binding process.
Huang, Q; Ji, Y; Kong, D; Lu, J; Shi, Y, 2017)		2.18
"Laccases are an interesting group of multi copper enzymes, which have received much attention of researchers in last decades due to their ability to oxidize both phenolic and non-phenolic lignin related compounds as well as highly recalcitrant environmental pollutants. "( Laccases and their applications: a patent review.
Alcalde, M; Ballesteros, A; Kunamneni, A; Plou, FJ, 2008)		3.23
"Laccase is a multi-copper enzyme found in variety of organisms including plants, fungi and bacteria. "( Cuticle laccase of the silkworm, Bombyx mori: purification, gene identification and presence of its inactive precursor in the cuticle.
Asano, T; Yatsu, J, 2009)		2.23
"Laccase is a ligninolytic enzyme widely distributed in wood-rotting fungi and which is also found in a variety of molds and insects as well as some plants and bacteria. "( Fungal laccases as tools for the synthesis of new hybrid molecules and biomaterials.
Mikolasch, A; Schauer, F, 2009)		2.25
"Laccase (EC 1.10.3.2) is a widespread cuproenzyme able to oxidize various types of phenols and similar aromatic compounds through a one-electron transfer mechanism. "( Direct spectrophotometric assay of laccase using diazo derivatives of guaiacol.
Farhadi, S; Haghbeen, K; Khoshneviszadeh, R; Legge, RL; Moshtaghioun, SM; Sahebghadam, AL, 2011)		2.09
"Laccases are a class of multi-copper oxidases (MCOs) that catalyze the one-electron oxidation of four equivalents of a reducing substrate, with the concomitant four-electron reduction of dioxygen to water. "( Expression of industrially relevant laccases: prokaryotic style.
Decker, SR; Reardon, KF; Santhanam, N; Vivanco, JM, 2011)		2.09
"Laccase-2 is a highly conserved multicopper oxidase that functions in insect cuticle pigmentation and tanning. "( Kinetic properties of alternatively spliced isoforms of laccase-2 from Tribolium castaneum and Anopheles gambiae.
Arakane, Y; Dai, H; Dittmer, NT; Gorman, MJ; Hua, DH; Kanost, MR; Li, J; Nguyen, TD; Sullivan, LI; Syed, LU, 2012)		2.07
"Laccase is a member of the multi-copper oxidase family and a promising for hair coloring. "( Isolation of a novel alkaline-induced laccase from Flammulina velutipes and its application for hair coloring.
Endo, K; Ikeda, R; Otsuka Saito, K; Takagi, M; Tamiya, E; Tsujino, Y, 2012)		2.09
"Laccase is a promising biocatalyst with many possible applications, including bioremediation, chemical synthesis, biobleaching of paper pulp, biosensing, textile finishing and wine stabilization. "( Recent developments and applications of immobilized laccase.
Fernández-Fernández, M; Moldes, D; Sanromán, MÁ, 2013)		2.08
"Laccase is a copper-containing polyphenol oxidase that has great potential in industrial and biotechnological applications. "( Expression of the laccase gene from a white rot fungus in Pichia pastoris can enhance the resistance of this yeast to H2O2-mediated oxidative stress by stimulating the glutathione-based antioxidative system.
Fan, F; Gong, Y; Jiang, M; Ma, F; Wan, X; Yang, Y; Zhang, X; Zhuo, R, 2012)		2.16
"Laccase is a blue copper oxidase with multiple copper ions and widely distributed in higher plant and fungi. "( Purification and characterization of a novel laccase from Coprinus cinereus and decolorization of different chemically dyes.
Lin, Y; Peng, R; Tian, Y; Xu, Z; Yao, Q; Zhang, Z; Zhao, W; Zhu, B, 2013)		2.09
"Laccase is a polyphenol oxidase, which belongs to the family of blue multicopper oxidases. "( Crystal structure of a laccase from the fungus Trametes versicolor at 1.90-A resolution containing a full complement of coppers.
Antorini, M; Choinowski, T; Piontek, K, 2002)		2.07
"Laccase A is a monomeric glycoprotein with a carbohydrate content of 11-12% and an isoelectric point of 4.2."( Purification, molecular characterization and reactivity with aromatic compounds of a laccase from basidiomycete Trametes sp. strain AH28-2.
Cheng, Q; Shi, YY; Tu, XM; Wang, J; Xiao, YZ; Zeng, WY; Zhang, M, 2003)		1.26
"Laccase is an enzyme that catalyzes the oxidation of phenolic compounds by coupling the reduction of oxygen to water. "( Enzymological characterization of EpoA, a laccase-like phenol oxidase produced by Streptomyces griseus.
Beppu, T; Endo, K; Hayashi, Y; Hibi, T; Hosono, K; Ueda, K, 2003)		2.03
"Laccase is a major virulence factor required for infection caused by the human pathogenic yeast Cryptococcus neoformans. "( A CLC-type chloride channel gene is required for laccase activity and virulence in Cryptococcus neoformans.
Williamson, PR; Zhu, X, 2003)		2.02
"Laccase (EC 1.10.3.2) is an enzyme with p-diphenol oxidase activity that is a member of a group of proteins collectively known as multicopper, or blue copper, oxidases. "( Characterization of cDNAs encoding putative laccase-like multicopper oxidases and developmental expression in the tobacco hornworm, Manduca sexta, and the malaria mosquito, Anopheles gambiae.
Dittmer, NT; Gorman, MJ; Jiang, H; Kanost, MR; Kramer, KJ; Suderman, RJ; Zhu, YC, 2004)		2.03
"Laccase is a multicopper blue oxidase that couples the four-electron reduction of oxygen with the oxidation of a broad range of organic substrates, including phenols and arylamines. "( The structure of Rigidoporus lignosus Laccase containing a full complement of copper ions, reveals an asymmetrical arrangement for the T3 copper pair.
Cambria, MT; D'Ambrosio, C; Garavaglia, S; Iacobazzi, V; Miglio, M; Palmieri, F; Ragusa, S; Rizzi, M; Scaloni, A, 2004)		2.04
"Laccase is an important virulence factor for the human pathogen, Cryptococcus neoformans. "( Role of laccase in the biology and virulence of Cryptococcus neoformans.
Williamson, PR; Zhu, X, 2004)		2.2
"Laccase is a multicopper-containing enzyme that catalyzes the oxidation of phenolic compounds. "( Copper-dependent production of a Pycnoporus coccineus extracellular laccase in Aspergillus oryzae and Saccharomyces cerevisiae.
Akada, R; Fujita, T; Hoshida, H; Kubo, K; Murata, K, 2005)		2.01
"Laccase is a multicopper oxidase that contains four Cu ions, one type 1 (T1), one type 2 (T2), and a coupled binuclear type 3 Cu pair (T3). "( Spectroscopic and electronic structure studies of the trinuclear Cu cluster active site of the multicopper oxidase laccase: nature of its coordination unsaturation.
Andersson, KK; Aznar, CP; Britt, RD; Palmer, AE; Quintanar, L; Solomon, EI; Yoon, J, 2005)		1.98
"Laccase was found to be a monomeric protein with a molecular mass of 69.1 kDa, pI of 3.15 and 6.9% N-glycosylation of the high mannose type."( Production, purification and partial characterisation of a novel laccase from the white-rot fungus Panus tigrinus CBS 577.79.
D'Annibale, A; Federici, F; Fenice, M; Petruccioli, M; Quaratino, D, 2007)		1.3
"Laccase is a major virulence factor of the pathogenic fungus Cryptococcus neoformans, which afflicts both immunocompetent and immunocompromised individuals. "( Cell wall targeting of laccase of Cryptococcus neoformans during infection of mice.
Hacham, M; Hu, G; Panepinto, J; Shin, S; Waterman, SR; Williamson, PR, 2007)		2.09
"Laccase (Lcc) is a lignin-degrading enzyme produced by white-rot fungi and has been the subject of much interest in the field of bioremediation due to its ability to oxidize phenolic compounds. "( Heterologous expression of lcc1 from Lentinula edodes in tobacco BY-2 cells results in the production an active, secreted form of fungal laccase.
Hirano, T; Irie, T; Nagai, M; Nakade, K; Nakagawa, Y; Sakamoto, Y; Sato, T; Watanabe, H; Yano, A, 2008)		1.99
"Laccase is a monomer composed of three cupredoxin-like beta-sandwich domains, similar to that found in ascorbate oxidase."( Crystal structure of the type-2 Cu depleted laccase from Coprinus cinereus at 2.2 A resolution.
Brown, SH; Brzozowski, AM; Davies, GJ; Ducros, V; Ostergaard, P; Pedersen, AH; Schneider, P; Wilson, KS; Yaver, DS, 1998)		1.28
"Laccase was found to be a pH-stable and thermostable enzyme."( Purification and characterization of the constitutive form of laccase from the basidiomycete Coriolus hirsutus and effect of inducers on laccase synthesis.
Dzchafarova, AN; Gavrilova, VP; Jaropolov, AI; Koroljova-Skorobogat'ko, OV; Lubimova, NV; Makower, A; Morozova, OV; Stepanova, EV, 1998)		1.26
"Laccase is a multicopper oxidase that contains four Cu ions, one type 1, one type 2, and a coupled binuclear type 3 Cu pair. "( Decay of the peroxide intermediate in laccase: reductive cleavage of the O-O bond.
Lee, SK; Palmer, AE; Solomon, EI, 2001)		2.02
"Laccase II is a monomeric glycoprotein with a molecular mass of 63 kDa as determined by sodium dodecylsulfate polyacrylamide gel electrophoresis, contains 18% glycosylation, and has a pI of 3.0."( Purification and characterization of a laccase from the white-rot fungus Trametes multicolor.
Galhaup, C; Haltrich, D; Hess, J; Kulbe, KD; Leitner, C; Ludwig, R; Nidetzky, B, 2002)		1.31

Effects

Laccase activity has a potential as an indicator of fungal stress, e.g., when challenged with an antifungal BCA. Laccase has an acidic pH optimum (pH 3.8-4.2) for coniferyl alcohol oxidation.

Laccase enzyme has been widely used as the catalyst of the biocathodes in enzymatic biofuel cells (BFCs) Laccase has been proved important in decolorization of Remazol Brilliant Blue R (RBBR), oxidation of 2, 2'-Azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt and lignin degradation.

ExcerptReferenceRelevance
"This laccase has an acidic pH optimum (pH 3.8-4.2) for coniferyl alcohol oxidation."( Norway spruce (Picea abies) laccases: characterization of a laccase in a lignin-forming tissue culture.
Kärkönen, A; Koutaniemi, S; Malmberg, HA; Simola, LK; Teeri, TH, 2015)		1.17
"Laccase activity has a potential as an indicator of fungal stress, e.g., when challenged with an antifungal BCA."( Using phospholipid fatty acid technique to study short-term effects of the biological control agent Pseudomonas fluorescens DR54 on the microbial microbiota in barley rhizosphere.
Johansen, A; Olsson, S, 2005)		1.05
"Laccase has a potential use in the biotreatment of aqueous effluents containing PCP, with polymerised products being removed from solution due to their high molecular weight."( Reactions of pentachlorophenol with laccase from Coriolus versicolor.
Bedford, CT; Evans, CS; Ullah, MA, 2000)		1.3
"Laccases have been in the spotlight due to its capability to catalyse electrocatalytic reactions. "( Laccases: Thriving the domain of bio-electrocatalysis.
Dey, B; Dutta, T, 2022)		3.61
"Laccases have been broadly applied as a multitasking biocatalyst in various industries, but their applications tend to be limited by easy deactivation, lack of adequate stability, and susceptibility under complex conditions. "( Enzymatically triggered delignification through a novel stable laccase: A mixed in-silico /in-vitro exploration of a complex environmental microbiota.
Afshar Jahanshahi, D; Ariaeenejad, S; Ghasemitabesh, R; Hosseini Salekdeh, G; Kavousi, K; Moosavi-Movahedi, AA; Sheykh Abdollahzadeh Mamaghani, A, 2022)		2.4
"Laccase has received extensive attention in pollutant degradation due to its high efficiency and environmental friendliness, but free laccase has poor stability, easy inactivation, and difficulty in recycling, which limited its application. "( Gentle one-step co-precipitation to synthesize bimetallic CoCu-MOF immobilized laccase for boosting enzyme stability and Congo red removal.
Li, R; Li, X; Liu, X; Tao, X; Tian, D; Wu, Z, 2022)		2.39
"The laccase/ABTS system has found several industrial applications ranging from biodeterioration to biodegradation and bioremediation. "( Time-dependent electrochemical characteristics of a phenolic and non-phenolic compound in the presence of laccase/ABTS system.
Mukhopadhyay, M; Saha, R, 2022)		1.49
"Laccase has previously been proposed in CL reactions; however, its light emission behaviour has not been characterized."( Laccase-luminol chemiluminescence system: an investigation of substrate inhibition.
Galindo-Estrada, JD; Mayolo-Deloisa, K; Rito-Palomares, M; Sánchez-Trasviña, C; Serrano-Carreón, L; Tinoco-Valencia, R; Willson, RC, 2023)		3.07
"Laccase (LAC) has emerged as a promising biocatalyst for the oxidation of environmentally toxic contaminants with high catalytic efficiency; however, its large-scale application is hindered by enzyme costs and dependency on redox mediators."( Laccase-Based Self-Amplifying Catalytic System Enables Efficient Antibiotic Degradation for Sustainable Environmental Remediation.
Lin, X; Xia, L; Xia, Y, 2023)		3.07
"Laccases have been explored for removal of contaminants and pollutants, including dye decolorization and plastic degradation."( Computer-aided discovery of a novel thermophilic laccase for low-density polyethylene degradation.
Andersen, GR; Berentzen, EI; Bouhier, E; Eser, BE; Guo, Z; Ouyang, Y; Plesner, TJ; Zhang, M; Zhang, Y; Zheng, YC; Zhou, P; Zimmermann, W, 2023)		1.89
"Laccases have been widely explored for their ligninolytic capability in bioethanol production and bioremediation of industrial effluents. "( A first report on competitive inhibition of laccase enzyme by lignin degradation intermediates.
Ahmed, A; Pamidipati, S, 2020)		2.26
"Laccases have been found to be considerably effective in improving the digestibility by way of delignification."( Enhanced delignification of lignocellulosic substrates by Pichia GS115 expressed recombinant laccase.
Dhali, A; Kolte, AP; Kumar, VP; Naik, C; Sridhar, M, 2018)		1.42
"Laccase has been applied extensively as a biocatalyst to remove different organic pollutants. "( Spore cells from BPA degrading bacteria Bacillus sp. GZB displaying high laccase activity and stability for BPA degradation.
An, T; Das, R; Li, G; Mai, B, 2018)		2.16
"Laccase has been shown a multifunctional enzyme that plays many important roles."( Genome-wide identification and characterization of laccase gene family in Citrus sinensis.
Ding, L; Kong, W; Luo, L; Wang, B; Wang, Y; Xu, X; Zhang, Y; Zhou, Y, 2019)		1.49
"Laccase has the enormous potential to be implemented as the multitasking biocatalyst in whole process of paper making. "( Utility of laccase in pulp and paper industry: A progressive step towards the green technology.
Arya, SK; Singh, G, 2019)		2.35
"Laccases have been widely used in several biotechnological areas, including organic synthesis, bioremediation, and pulp/textile bleaching. "( Laccase-mediated oxidation of small organics: bifunctional roles for versatile applications.
Chang, YS; Jeon, JR, 2013)		3.28
"A laccase has multiple redox centres. "( Construction and direct electrochemistry of orientation controlled laccase electrode.
Huang, X; Li, Y; Wang, T; Zhang, J, 2014)		1.36
"Laccase isozymes have been identified in several fungi. "( Cloning and characterization of laccase DNA from the Royal Sun medicinal mushroom, Agaricus brasiliensis (higher Basidiomycetes).
Akanuma, S; Matsumoto-Akanuma, A; Motoi, M; Ohno, N; Yamagishi, A, 2014)		2.13
"This laccase has an acidic pH optimum (pH 3.8-4.2) for coniferyl alcohol oxidation."( Norway spruce (Picea abies) laccases: characterization of a laccase in a lignin-forming tissue culture.
Kärkönen, A; Koutaniemi, S; Malmberg, HA; Simola, LK; Teeri, TH, 2015)		1.17
"Laccases have been used for the decolorization and detoxification of synthetic dyes due to their ability to oxidize a wide variety of dyes with water as the sole byproduct. "( Overexpression of a novel thermostable and chloride-tolerant laccase from Thermus thermophilus SG0.5JP17-16 in Pichia pastoris and its application in synthetic dye decolorization.
Cheng, Y; Du, B; Han, S; Liang, S; Lin, Y; Liu, H; Tong, C; Zheng, S, 2015)		2.1
"Laccases have been found to play a major role during lignin degradation and have therefore been intensively researched with regard to potential applications for biomass processing."( Laccases for biorefinery applications: a critical review on challenges and perspectives.
Roth, S; Spiess, AC, 2015)		2.58
"The laccase column has high efficiency for catalytic oxidation of hydroquinone to quinone, which further detects by amperometric detection."( Flow injection amperometric sensor with a carbon nanotube modified screen printed electrode for determination of hydroquinone.
Chailapakul, O; Jakmunee, J; Reanpang, P; Upan, J, 2016)		0.92
"A laccase has been purified from oyster mushroom (Pleurotus ostreatus) to homogeneity by DEAE Affi-gel blue gel, CM-Sephadex G-50 and Sephadex G-100."( Oyster mushroom laccase inhibits hepatitis C virus entry into peripheral blood cells and hepatoma cells.
El-Fakharany, EM; Haroun, BM; Ng, TB; Redwan, ER, 2010)		1.26
"Laccase has been entrapped by means of electrochemical polymerization."( Poly-o-aminophenol as a laccase mediator and influence of the enzyme on the polymer electrodeposition.
Marzec, M; Pałys, B; Rogalski, J, 2010)		1.39
"Laccases have been found in plants, insects, and bacteria but predominantly in fungi: these enzymes have been documented in about 60 fungal strains."( Screening metagenomic libraries for laccase activities.
Beloqui, A; Ferrer, M; Golyshin, PN, 2010)		1.36
"A laccase has been purified from the liquid culture growth medium containing bagasse particles of Fomes durissimus. "( A laccase of Fomes durissimus MTCC-1173 and its role in the conversion of methylbenzene to benzaldehyde.
Sahay, R; Yadav, KD; Yadav, RS; Yadava, S, 2012)		1.82
"Laccases have been proposed to participate in the transformation of organic matter and xenobiotics as well as microbial interactions."( Laccase activity in soils: considerations for the measurement of enzyme activity.
Baldrian, P; Eichlerová, I; Šnajdr, J, 2012)		2.54
"Laccase enzyme has been widely used as the catalyst of the biocathodes in enzymatic biofuel cells (BFCs); the poor biocompatibility of this enzyme (e.g., poor catalytic activity in neutral media and low tolerance against chloride ion) and the lack of selectivity for oxygen reduction at the laccase-based biocathode against ascorbic acid, unfortunately, offer a great limitation to future biological applications of laccase-based BFCs. "( Ionic liquid-assisted preparation of laccase-based biocathodes with improved biocompatibility.
Cheng, H; Jin, X; Lin, Y; Mao, L; Qian, Q; Su, L; Yu, P, 2012)		2.09
"Laccase has been proved important in decolorization of Remazol Brilliant Blue R (RBBR), oxidation of 2, 2'-Azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt, lignin degradation and fruiting-body formation. "( The novel role of fungal intracellular laccase: used to screen hybrids between Hypsizigus marmoreus and Clitocybe maxima by protoplasmic fusion.
Hu, K; Xu, J; Zhang, J; Zhang, W, 2012)		2.09
"Laccases have been found in all domains of life but have not been reported in oomycte."( Genome-wide identification of laccase gene family in three Phytophthora species.
Feng, B; Li, P, 2012)		1.39
"Laccase activity has a potential as an indicator of fungal stress, e.g., when challenged with an antifungal BCA."( Using phospholipid fatty acid technique to study short-term effects of the biological control agent Pseudomonas fluorescens DR54 on the microbial microbiota in barley rhizosphere.
Johansen, A; Olsson, S, 2005)		1.05
"Both laccase RFLP and AFLP have been proved to distinguish unambiguously the three taxa studied: Pleurotus ferulae, P."( DNA-fingerprinting (AFLP and RFLP) for genotypic identification in species of the Pleurotus eryngii complex.
Della Rosa, V; Fabbri, AA; Fanelli, C; Porretta, D; Punelli, F; Reverberi, M; Urbanelli, S, 2007)		0.79
"Two laccases have been purified to apparent electrophoretic homogeneity from the extracellular medium of a 2,5-xylidine-induced culture of the white rot basidiomycete Trametes villosa (Polyporus pinsitus or Coriolus pinsitus). "( Purification, characterization, molecular cloning, and expression of two laccase genes from the white rot basidiomycete Trametes villosa.
Brown, KM; Brown, SH; Dalboge, H; Golightly, EJ; Halkier, T; Mondorf, K; Rey, MW; Schneider, P; Xu, F; Yaver, DS, 1996)		1.08
"Laccase has a potential use in the biotreatment of aqueous effluents containing PCP, with polymerised products being removed from solution due to their high molecular weight."( Reactions of pentachlorophenol with laccase from Coriolus versicolor.
Bedford, CT; Evans, CS; Ullah, MA, 2000)		1.3
"The laccase has less ability to remove these activities than MnP, but the laccase-HBT system was able to remove the activities in 6 h."( Removal of estrogenic activities of bisphenol A and nonylphenol by oxidative enzymes from lignin-degrading basidiomycetes.
Haneda, T; Nishida, T; Tsutsumi, Y, 2001)		0.79
"A laccase has been purified from the fungus Trametes versicolor and crystallized using the hanging-drop method."( Purification and preliminary crystallographic study of Trametes versicolor laccase in its native form.
Bertrand, T; Briozzo, P; Caminade, E; Jolivalt, C; Joly, N; Mougin, C, 2002)		1.1

Actions

Laccase genes produce laccase enzymes that play a crucial role in the production of lignin and oxidation. Laccase2 (Lac2) plays important roles in this process in insects, and we hypothesized that Lac2 expression may be involved in soldier-specific cuticular tanning.

ExcerptReferenceRelevance
"Laccase (LAC) plays important roles in different plant development and defense processes. "( The Laccase Gene Family Mediate Multi-Perspective Trade-Offs during Tea Plant (
Li, X; Liu, F; Sun, X; Xing, Y; Yu, Y; Zhang, J; Zhang, X, 2021)		2.62
"Laccase genes produce laccase enzymes that play a crucial role in the production of lignin and oxidation reactions within plants. "( Contribution of the
Huang, M; Khan, MKU; Liu, M; Ma, Z; Peng, J; Wang, X; Yang, C; Zhang, X, 2023)		2.35
"Laccases catalyze reactions that convert substituted phenol substrates into diverse derivatives through aromatic oxidation."( Phenolic Compound Biotransformation by Trametes versicolor ATCC 200801 and Molecular Docking Studies.
Conceição, JCS; Crotti, AEM; da Rocha Pita, SS; de Oliveira Silva, E; Dias, HJ; Peralva, CMS, 2020)		1.28
"Laccase2 (Lac2) plays important roles in this process in insects, and we hypothesized that Lac2 expression may be involved in soldier-specific cuticular tanning."( High Laccase2 expression is likely involved in the formation of specific cuticular structures during soldier differentiation of the termite Reticulitermes speratus.
Maekawa, K; Masuoka, Y; Miyazaki, S; Saiki, R; Tsuchida, T, 2013)		1.63
"Laccases can catalyze polymerization of lignin, but the question is whether and how laccases can directly catalyze modification of lignin via catalytic bond cleavage."( Can laccases catalyze bond cleavage in lignin?
Kalyani, DC; Meyer, AS; Mikkelsen, JD; Munk, L; Sitarz, AK, )		1.41
"Laccase can catalyze one-electron oxidation of a variety of phenolic compounds using molecular oxygen as the electron acceptor."( Formation of Halogenated Polyaromatic Compounds by Laccase Catalyzed Transformation of Halophenols.
Huang, Q; Liu, H; Lu, J; Shao, J; Wang, Z, 2015)		1.39
"Laccase can catalyze the oxidation of a wide range of organic and inorganic substrates. "( A newly isolated Paecilomyces sp. WSH-L07 for laccase production: isolation, identification, and production enhancement by complex inducement.
Chen, J; Du, G; Hua, Z; Li, J; Liu, Z; Zhang, D, 2009)		2.05
"Laccase failed to produce any detectable quinone or quinone methide as the primary two-electron oxidation product."( Reexamination of the mechanisms of oxidative transformation of the insect cuticular sclerotizing precursor, 1,2-dehydro-N-acetyldopamine.
Abebe, A; Evans, J; Sugumaran, M; Zheng, D, 2010)		1.08
"Laccase could catalyze the removal of RB221 and had positive effect on MFC performance as well."( Bioelectricity generation enhancement in a dual chamber microbial fuel cell under cathodic enzyme catalyzed dye decolorization.
Bakhshian, S; Kariminia, HR; Roshandel, R, 2011)		1.09
"Laccases catalyze the oxidation of phenolic substrates and the concominant reduction of dioxygen to water. "( Probing the dioxygen route in Melanocarpus albomyces laccase with pressurized xenon gas.
Hakulinen, N; Kallio, JP; Kruus, K; Rouvinen, J, 2011)		2.06
"Laccases catalyze the oxidation of a broad range of phenolic compounds, including polychlorinated phenols such as 2,4,6-trichlorophenol (TCP), that are among the most hazardous and recalcitrant pollutants in the environment."( Ex planta phytoremediation of trichlorophenol and phenolic allelochemicals via an engineered secretory laccase.
Chen, XY; Li, QJ; Luo, B; Wang, GD, 2004)		1.26
"Laccases catalyze the one-electron oxidation of a broad range of substrates coupled to the 4 electron reduction of O2 to H2O. "( An assessment of the relative contributions of redox and steric issues to laccase specificity towards putative substrates.
D'Annibale, A; Galli, C; Gentili, P; Sergi, F; Tadesse, MA, 2008)		2.02

Treatment

Laccase treatment is a promising approach to remove lignin from prehydrolysis liquor (PHL) for value added utilization of hemicellulose rich waste streams. The laccase-mediator treatment produced oxidation and cleavage of Cα and Cβ bonds in pulp lIGNin. Laccase pretreatment can modify the lignIn structure based on the Fourier transform infrared test, as a result delignification of straw was enhanced.

ExcerptReferenceRelevance
"The laccase treatment brought chemical transformation in malachite green as evident from UV-Visible spectra, FTIR, HPLC while toxicity against bacteria and fungi was also reduced."( Bioprocess optimization of laccase production through solid substrate fermentation using Perenniporia tephropora-L168 and its application in bioremediation of triaryl-methane dye.
Chaudhari, BL; Chopade, LR; Mahajan, RT; Narkhede, KP; Patil, ND, 2020)		1.34
"A laccase pretreatment successfully detoxified the substrate, while versatile peroxidase however was inhibited by 100mg/L of each of the individual phenolic compounds."( Laccase enzyme detoxifies hydrolysates and improves biogas production from hemp straw and miscanthus.
Holemans, S; Raes, K; Schroyen, M; Van Hulle, SWH; Vervaeren, H, 2017)		2.46
"Laccase treatment triggered polymerization on vanillic acid (VA) and kraft lignin (KL)."( Expression and characterization of novel laccase gene from Pandoraea sp. ISTKB and its application.
Kumar, M; Mishra, A; Singh, SS; Srivastava, S; Thakur, IS, 2018)		1.47
"The laccase-mediator treatment produced oxidation at Cα and cleavage of Cα and Cβ bonds in pulp lignin, as shown by pyrolysis-GC-MS."( Understanding pulp delignification by laccase-mediator systems through isolation and characterization of lignin-carbohydrate complexes.
Del Río, JC; Du, X; Gellerstedt, G; Gutiérrez, A; Li, J; Martínez, AT; Rencoret, J, 2013)		1.14
"The laccase pretreatment can modify the lignin structure based on the Fourier transform infrared test, as a result the delignification of straw was enhanced."( [Synergistic mechanism of steam explosion combined with laccase treatment for straw delignification].
Chen, H; Li, G, 2014)		1.13
"Laccase treatment is a promising approach to remove lignin from prehydrolysis liquor (PHL) for value added utilization of hemicellulose rich waste streams. "( Modeling laccase-induced lignin removal in prehydrolysis liquor from kraft-based dissolving pulp production.
Chen, J; Liu, S; Wang, Q; Yang, G, 2015)		2.28
"Laccase treatment (1.34 mU/mL) increased aggregate expansion by ca."( Cross-linking oppositely charged oil-in-water emulsions to enhance heteroaggregate stability.
Maier, C; Oechsle, AM; Weiss, J, 2015)		1.14
"For laccase pretreatment, optimized conditions obtained were 300rpm impeller speed, enzyme concentration 10U/gm of Napier grass gave 50% delignification with cellulose."( Process intensification of delignification and enzymatic hydrolysis of delignified cellulosic biomass using various process intensification techniques including cavitation.
Nagula, KN; Pandit, AB, 2016)		0.92
"Laccase treatment of peanut proteins yielded a covalently cross-linked material, with the modified tertiary structure of peanut proteins, improved bioavailability of Ara h 2 (by 70 fold, p < 0.05) and modulated allergic immune response in vivo."( Peanut protein structure, polyphenol content and immune response to peanut proteins in vivo are modulated by laccase.
Bohn, T; Buchert, J; Cirkovic Velickovic, T; Krstic, M; Mihajlovic, L; Nordlund, E; Radosavljevic, J; Smit, J, 2016)		1.37
"Laccase treatments caused only minor changes, though with increases occurring in the 850°C and char precursor fractions."( Biodegradation of lignin by fungi, bacteria and laccases.
Asina, F; Brzonova, I; Ji, Y; Kozliak, E; Kubátová, A; Voeller, K; Yao, B, 2016)		1.41
"Laccase treatment also significantly suppressed the antimicrobial activity of TC and OTC."( Degradation of tetracycline by immobilized laccase and the proposed transformation pathway.
Lin, J; Lin, Y; Ng, TB; Yang, J; Yang, X; Ye, X, 2017)		1.44
"Laccase treatment of TCS without SYD decreased the anti-bacterial TCS activity more than treatment employing SYD in addition, indicating that SYD and/or its transformation products contribute to bacterial toxicity."( Laccase- and electrochemically mediated conversion of triclosan: Metabolite formation and influence on antibacterial activity.
Jahangiri, E; Reemtsma, T; Schlosser, D; Seiwert, B, 2017)		2.62
"Laccase treatment decreased the content of water-extractable arabinoxylan (WEAX) in oat dough due to oxidative cross-linking of feruloylated arabinoxylans."( Effects of laccase and xylanase on the chemical and rheological properties of oat and wheat doughs.
Autio, K; Buchert, J; Flander, L; Kruus, K; Morel, MH; Rouau, X; Seppänen-Laakso, T, 2008)		1.46
"Laccase treatment of recycled dyed pulp increased acid group content, tear index, tensile index, and color removal in a dose-dependent manner."( Laccase treatment of recycled blue dyed paper: physical properties and fiber charge.
Knutson, K; Mohandass, C; Ragauskas, AJ, 2008)		2.51
"Laccase treatment of steam-exploded wheat straw reduced sugar recovery after enzymatic hydrolysis, and it should be better performed after hydrolysis with cellulases."( Laccase detoxification of steam-exploded wheat straw for second generation bioethanol.
Jurado, M; Martínez, AT; Martínez, MJ; Martínez-Alcalá, A; Prieto, A, 2009)		2.52
"The laccase-PCA treatment substantially increased kappa number (KN) and color in both fiber fractions, which suggests grafting of the phenolic compound onto fibers."( Elucidating the effects of laccase-modifying compounds treatments on bast and core fibers in flax pulp.
Fillat, A; Roncero, MB; Vidal, T, 2012)		1.16
"The laccase treatment reduced the binding of enzymes on modified spruce lignin, whereas with giant reed, the amount of bound proteins increased after laccase treatment."( The laccase-catalyzed modification of lignin for enzymatic hydrolysis.
Galkin, S; Kellock, M; Moilanen, U; Viikari, L, 2011)		1.41
"Laccase/HBT treatment could be improved by increasing oxygen pressure from 1 to 3bar and pulp consistency from 5% to 10%."( Laccase/HBT and laccase-CBM/HBT treatment of softwood kraft pulp: impact on pulp bleachability and physical properties.
Bertaud, F; Grisel, S; Herpoël-Gimbert, I; Joseleau, JP; Meyer, V; Olivé, C; Petit-Conil, M; Ravalason, H; Ruel, K; Sigoillot, JC, 2012)		2.54
"The laccase treatment showed better flocculation capacity compared to the industrial flocculation process using stabifix as a flocculant."( Flocculation and haze removal from crude beer using in-house produced laccase from Trametes versicolor cultured on brewer's spent grain.
Brar, SK; Dhillon, GS; Kaur, S; Verma, M, 2012)		1.09
"Laccase enzymatic treatment was evaluated as a method to reduce these inhibitory effects."( Improving the fermentation performance of Saccharomyces cerevisiae by laccase during ethanol production from steam-exploded wheat straw at high-substrate loadings.
Alvira, P; Ballesteros, M; Ibarra, D; Moreno, AD; Sáez, F, )		1.09
"Laccase treatment alone was also shown to improve hydrolysis."( Role of oxidative enzymatic treatments on enzymatic hydrolysis of softwood.
Palonen, H; Viikari, L, 2004)		1.04
"Laccase-treated and then ultrafiltered pomegranate juices have shown a rapid increase in their color, when compared to only ultrafiltered (control) samples."( Removal of phenolic compounds in pomegranate juices using ultrafiltration and laccase-ultrafiltration combinations.
Acar, J; Alper, N, 2004)		1.27
"Both laccase and HRP treatments were found to polymerise MWL."( Oxidation of milled wood lignin with laccase, tyrosinase and horseradish peroxidase.
Buchert, J; Canevali, C; Grönqvist, S; Niku-Paavola, ML; Orlandi, M; Viikari, L, 2005)		1.06
"The laccase treatment showed high decolorization rates but cannot degrade all investigated dyes (reactive dyes), and high anionic strength led to enzyme deactivation."( Degradation of azo dyes by laccase and ultrasound treatment.
Guebitz, GM; Rehorek, A; Tauber, MM, 2005)		1.11
"Laccase treatment degraded both Acid Orange and Direct Blue dyes within 1-5 h but failed in the case of Reactive dyes, whereas ultrasound degraded all the dyes investigated (3-15 h)."( Degradation of azo dyes by oxidative processes--laccase and ultrasound treatment.
Gübitz, GM; Rehorek, A; Tauber, MM, 2008)		1.32
"The laccase-HBT treatment was found to result in slight delignification (in the form of a 20-27% decrease in kappa number); however, an alkaline extraction stage raised delignification to 41-45%, a much higher level than those obtained in the control tests (16-23%)."( Laccase-HBT bleaching of eucalyptus kraft pulp: influence of the operating conditions.
Moldes, D; Vidal, T, 2008)		2.27
"Pretreat of laccase delignification for sugars production is expected to be applied to other herbal residues."( Studies on laccase mediated conversion of lignin from ginseng residues for the production of sugars.
Lu, J; Lv, C; Zhang, R, 2020)		1.31
"P. ostreatus laccase immobilized onto MANAE-agarose could be an economical alternative for large scale degradation of BPA in aqueous systems."( A highly reusable MANAE-agarose-immobilized Pleurotus ostreatus laccase for degradation of bisphenol A.
Bracht, A; Brugnari, T; Bubna, GA; Castoldi, R; Contato, AG; Corrêa, RCG; de Freitas, EN; de Souza, CGM; Peralta, RM; Pereira, MG; Polizeli, MLTM, 2018)		1.07
"ostreatus laccase gene family allowed the identification of a "laccase subfamily" consisting of three genes."( The Pleurotus ostreatus laccase multi-gene family: isolation and heterologous expression of new family members.
Autore, F; Faraco, V; Giardina, P; Pezzella, C; Piscitelli, A; Sannia, G, 2009)		1.04
"Treatment by laccase was able to reduce 4% to 70% of phenols whereas treatment by photo-Fenton oxidation was responsible for 100% phenols reduction."( Degradation of phenols in olive oil mill wastewater by biological, enzymatic, and photo-Fenton oxidation.
Duarte, AC; Duarte, KR; Freitas, AC; Justino, C; Marques, AG; Pereira, R; Rocha-Santos, T, 2010)		0.71
"ostreatus laccase multigene family and shed light on the role(s) played by individual laccase isoforms in P."( Identification of a new member of Pleurotus ostreatus laccase family from mature fruiting body.
Birolo, L; Leo, G; Lettera, V; Pezzella, C; Piscitelli, A; Sannia, G, 2010)		0.99
"ostreatus laccase, but there was no reduction in its concentration by the Phoma sp."( Laccase production by the aquatic ascomycete Phoma sp. UHH 5-1-03 and the white rot basidiomycete Pleurotus ostreatus DSM 1833 during submerged cultivation on banana peels and enzyme applicability for the removal of endocrine-disrupting chemicals.
Furlan, SA; Gern, RM; Libardi, N; Schlosser, D, 2012)		2.2
"ostreatus laccase promoters poxc, pox1, poxa1b and poxa3 have allowed identification of several putative response elements, and sequences of metal-responsive elements involved in the formation of complexes with fungal proteins have been identified in poxc and poxa1b promoters."( Enhanced green fluorescent protein expression in Pleurotus ostreatus for in vivo analysis of fungal laccase promoters.
Amore, A; Faraco, V; Honda, Y, 2012)		0.97
"ostreatus laccase promoter poxa1b by enhanced green fluorescent protein expression was carried out, based on a polyethylene glycol-mediated procedure for fungal transformation."( Copper induction of enhanced green fluorescent protein expression in Pleurotus ostreatus driven by laccase poxa1b promoter.
Amore, A; Faraco, V; Honda, Y, 2012)		0.97
"ostreatus laccase and the electron conducting redox polymer PVI-Os(dmebpy)(tpy)(2+/3+) [PVI=poly(N-vinyl imidazole) with about 1/5th of the rings complexed with (Os-dmebpy-tpy)(2+/3+); dmebpy=4,4'-dimethyl-2,2'-bipyridine; tpy=2,2',6',2"-terpyridine]."( Electroreduction of O(2) to water at 0.6 V (SHE) at pH 7 on the "wired" Pleurotus ostreatus laccase cathode.
Barton, SC; Heller, A; Pickard, M; Vazquez-Duhalt, R, 2002)		0.91
"OMW treatment with laccase resulted in a 65% and 86% reduction in total phenols and ortho-diphenols respectively, due their polymerization as revealed by size-exclusion chromatography."( Reduction of the phenolic components in olive-mill wastewater by an enzymatic treatment and its impact on durum wheat (Triticum durum Desf.) germinability.
Casa, R; D'Annibale, A; Giovannozzi Sermanni, G; Lo Cascio, B; Pieruccetti, F; Stazi, SR, 2003)		0.64
"ostreatus laccase-gene expression by a biotic factor was realized using semi-quantitative RT-PCR."( Interspecific interactions with Trichoderma longibrachiatum induce Pleurotus ostreatus defence reactions based on the production of laccase isozymes.
Billette, C; Farnet, AM; Mata, G; Savoie, JM; Velázquez-Cedeño, M, 2007)		0.92
"Treating the laccase immobilized beads with ethanolamine reduced dye adsorption by 40%."( Reactive blue 19 decolouration by laccase immobilized on silica beads.
Champagne, PP; Ramsay, JA, 2007)		0.97
"ostreatus laccase genes (pox1 and poxc) suggests that these genes belong to two different subfamilies."( Protein and gene structure of a blue laccase from Pleurotus ostreatus1.
Cennamo, G; Faraco, V; Fontanella, B; Giardina, P; Palmieri, G; Sannia, G; Scaloni, A, 1999)		0.96
"ostreatus laccase activity by degrading and/or activating different isoenzymes."( Purification, characterization, and functional role of a novel extracellular protease from Pleurotus ostreatus.
Bianco, C; Cennamo, G; Giardina, P; Marino, G; Monti, M; Palmieri, G; Sannia, G, 2001)		0.69

Toxicity

ExcerptReferenceRelevance
" cepa showed that the dye exerts oxidative stress and subsequently has a toxic effect on the root cells, whereas its metabolites are less toxic."( Biodegradation of Rubine GFL by Galactomyces geotrichum MTCC 1360 and subsequent toxicological analysis by using cytotoxicity, genotoxicity and oxidative stress studies.
Govindwar, SP; Kabra, AN; Kurade, MB; Waghmode, TR, 2012)		0.38
" Consequently, the toxic activity of the test compounds was controlled by electrophilic index and electronic properties."( Dechlorination of chlorinated compounds by Trametes versicolor ATCC 200801 crude laccase and quantitative structure-activity relationship of toxicity.
Aytar, P; Çabuk, A; Gedikli, S; Sidir, İ; Sidir, YG, 2012)		0.61
" After 2 d, sixty-seven percent of the toxic substrate was removed."( Comparative study of in vitro prooxidative properties and genotoxicity induced by aflatoxin B1 and its laccase-mediated detoxification products.
Amini, M; Faramarzi, MA; Nili-Ahmadabadi, A; Sabzevari, O; Setayesh, N; Zeinvand-Lorestani, H, 2015)		0.63
"05) detoxifies the toxic agents in wastewater."( Mutagenicity, cytotoxicity and phytotoxicity evaluation of biodegraded textile effluent by fungal ligninolytic enzymes.
Bilal, M; Hu, H; Iqbal, M; Zhang, X, 2016)		0.43
" The colloid dispersion/aggregation of nanoparticles in biological systems should be carefully considered during the design of safe nanomaterials."( Toxicity of nanodiamonds to white rot fungi Phanerochaete chrysosporium through oxidative stress.
Guan, X; Ma, Q; Ouyang, B; Shi, M; Yang, S; Yang, ST; Yilihamu, A; Zhang, Q, 2020)		0.56
"The massive use of pesticides represents one of the main causes of environmental deterioration, as they have adverse effects on non-target organisms."( Fungal degradation of selected medium to highly polar pesticides by Trametes versicolor: kinetics, biodegradation pathways, and ecotoxicity of treated waters.
Barbieri, MV; Caminal, G; Hu, K; López de Alda, M; López-García, E; Postigo, C; Sarrà, M, 2022)		0.72
" LA could be precisely released in the acidic tumor microenvironment for activating nontoxic QU successfully to produce toxic oxidized quercetin (OQU), and the LA was steady loaded on the LA@ZIF-8 under physiological conditions (pH∼7."( The safe Laccase@ZIF-8-prodrug system with GSH redox cycle for effective targeted cancer therapy with low off-target toxicity.
He, Z; Qi, W; Su, R; Wang, Y; Yan, X; You, S; Zhang, C; Zhang, J; Zhou, Y, 2022)		1.14

Bioavailability

ExcerptReferenceRelevance
" The combined biological action was optimized in micellar and microemulsion systems able to increase the bioavailability of the hydrophobic aromatic pollutants."( Combined action of a bacterial monooxygenase and a fungal laccase for the biodegradation of mono- and poly-aromatic hydrocarbons.
Branciamore, S; Briganti, F; Caño, MF; Duchi, I; Giardina, P; Gullotto, A; Randazzo, D; Sannia, G; Scozzafava, A; Tilli, S, 2008)		0.59
" However, the bioavailability of cellularly expressed or purified laccases in continuous operations is usually limited by mass transfer impediment or enzyme regeneration difficulty."( Decolorization of industrial synthetic dyes using engineered Pseudomonas putida cells with surface-immobilized bacterial laccase.
Li, L; Li, Q; Ni, H; Wang, W; Yang, X; Zhang, Z, 2012)		0.82
" The bioavailability of peanut proteins was analyzed using a Caco-2 epithelial cell model."( Peanut protein structure, polyphenol content and immune response to peanut proteins in vivo are modulated by laccase.
Bohn, T; Buchert, J; Cirkovic Velickovic, T; Krstic, M; Mihajlovic, L; Nordlund, E; Radosavljevic, J; Smit, J, 2016)		0.65
" Degradation studies in soil are much more complicated than liquid cultures because of the heterogeneity of soil, thus, many factors should be considered when studying soil bioremediation, such as desorption and bioavailability of PAHs."( Biodegradation of polycyclic aromatic hydrocarbons (PAHs) by fungal enzymes: A review.
Cledon, M; Kadri, T; Kaur Brar, S; Rouissi, T; Sarma, S; Verma, M, 2017)		0.46
" Significant hypoglycemic effects with improved insulin-relative bioavailability tested on an in vivo murine model revealed the efficacy of these enzymatically cross-linked arabinoxylans microspheres as a new oral insulin carrier."( Enzymatically cross-linked arabinoxylan microspheres as oral insulin delivery system.
Canett-Romero, R; Carvajal-Millan, E; Lizardi-Mendoza, J; López-Franco, YL; Martínez-López, AL; Micard, V; Rascón-Chu, A; Sotelo-Cruz, N, 2019)		0.51
" In conclusion, applying I/S in cattle manure composting effectively improved the abundance, bioavailability of lignin degradation functional gene enzymes and the composting efficiency."( Illite/smectite clay regulating laccase encoded genes to boost lignin decomposition and humus formation in composting habitats revealed by metagenomics analysis.
Li, G; Li, Q; Meng, Q; Niu, Q; Wang, S; Yan, H; Zhu, Q, 2021)		0.9
"While carbon dots (CDs) have the potential to support the agricultural revolution, it remains obscure about their environmental fate and bioavailability by plants."( Mechanistic Insights into the Biodegradation of Carbon Dots by Fungal Laccase.
Dong, S; Feng, Y; Guan, DX; He, Y; Lao, J; Liu, G; Mao, L; Ye, W, 2023)		1.14
" Microplastics can adsorb hydrophobic organics, thus altering the bioavailability of PAHs and ultimately affecting the removal of PAHs from soil."( The role of microplastics in the process of laccase-assisted phytoremediation of phenanthrene-contaminated soil.
Chen, F; Chen, X; Guan, C; Ji, J; Li, Z; Wang, G; Zhang, X; Zhu, Y, 2023)		1.17
" Unarguably, dibutyl phthalate (DBP) is one of the most ubiquitous EDCs because of its bioavailability in water, soil, and atmosphere."( Enhanced removal of dibutyl phthalate in a laccase-mediator system: Optimized process parameters, kinetics, and environmental impact.
Adebajo, SO; Bankole, PO; Mulla, SI; Omoni, VT; Tennison-Omovoh, CA, 2023)		1.17

Dosage Studied

The effects of reaction time, pH, temperature, chlorophenol concentration, and laccase dosage on the removal efficiency of chlorophenols were investigated. We find three LMS-HPBP processes that are more environment friendly than the conventional hydrogen peroxide bleaching process (CHPBP)

ExcerptRelevanceReference
" However, a high laccase dosage decreased the magnitude of G' below the control level."( Enzyme-aided modification of chicken-breast myofibril proteins: effect of laccase and transglutaminase on gelation and thermal stability.
Autio, K; Buchert, J; Kalkkinen, N; Lantto, R; Puolanne, E, 2005)		0.9
" When the ability of the enzymes to cross-link isolated gliadin and glutenin proteins was studied by the SDS-PAGE analysis, tyrosinase was found to cross-link the gliadin proteins effectively, whereas polymerization of the gliadins by laccase was observed only when a high enzyme dosage and prolonged incubation were used."( Elucidating the mechanism of laccase and tyrosinase in wheat bread making.
Autio, K; Buchert, J; Kruus, K; Selinheimo, E, 2007)		0.81
" Under otherwise identical conditions, a lower dosage of laccase was needed for the higher conversion of BPA in the presence of Triton X-100."( Effects of nonionic surfactant Triton X-100 on the laccase-catalyzed conversion of bisphenol A.
Huang, F; Huang, X; Ji, G; Zhang, H, 2009)		0.85
" By changing the factors of laccase-mediated system pretreatment and the hydrogen peroxide bleaching process and examining the subsequent whiteness value and retained tensile strength of the samples, we find three LMS-HPBP processes that are more environment friendly than the conventional hydrogen peroxide bleaching process (CHPBP): (i) bleaching with lower dosage of hydrogen peroxide; (ii) bleaching at reduced temperature; (iii) bleaching for shortened duration."( Laccase-mediated system pretreatment to enhance the effect of hydrogen peroxide bleaching of cotton fabric.
Branford-White, C; Nie, H; Tian, L; Wang, W; Zhu, L, 2012)		2.12
"5 U/mL laccase whilst higher dosage showed no improvement."( Removal of monomer delignification products by laccase from Trametes versicolor.
Amann, M; Faulstich, M; Kolb, M; Schieder, D; Sieber, V, 2012)		1.09
" The effects of reaction time, pH, temperature, chlorophenol concentration, and laccase dosage on the removal efficiency of chlorophenols were investigated."( [Condition optimization for degradation of chlorophenols using laccase from Amillariella mellea].
Qin, RB; Wu, K; Zhang, JJ; Zhao, HK; Zhu, XF, 2012)		0.85
"The capacity of laccase from Myceliophthora thermophila to promote the oxidative polymerisation of Kraft lignin (KL) was evaluated in several conditions of pH, temperature, enzyme dosage and treatment time."( Polymerisation of Kraft lignin from black liquors by laccase from Myceliophthora thermophila: effect of operational conditions and black liquor origin.
Fernández-Costas, C; Gouveia, S; Moldes, D; Sanromán, MA, 2013)		0.99
" A higher dosage of vanillin may promote a higher level of degradation of chlorpyrifos, and the 2-step addition of vanillin led to 98% chlorpyrifos degradation."( Production of a recombinant laccase from Pichia pastoris and biodegradation of chlorpyrifos in a laccase/vanillin system.
Li, Q; Wang, M; Xie, H; Zhao, L, 2013)		0.68
" Several model compound studies indicate that variations in the reaction media, such as the pH and the enzyme dosage used, have an impact on the observed product distribution of laccase promoted oxidation, but no detailed study has been reported to explain these results."( On the factors affecting product distribution in laccase-catalyzed oxidation of a lignin model compound vanillyl alcohol: experimental and computational evaluation.
Heinonen, P; Karhunen, P; Kruus, K; Lahtinen, M; Oivanen, M; Sipilä, J, 2013)		0.84
" Continuous mediator dosing to MBR may potentially enhance its performance, although not as effectively as for mediator-enhanced batch laccase systems."( Removal of trace organic contaminants by an MBR comprising a mixed culture of bacteria and white-rot fungi.
Hai, FI; Kang, J; Leusch, FD; Nghiem, LD; Nguyen, LN; Price, WE; Roddick, F; Yang, S, 2013)		0.59
" The inhibition mechanisms were also determined using dose-response substrate concentration for an inhibitor concentration equal or close to the IC50."( Laccase-like activity in the hemolymph of Venerupis philippinarum: characterization and kinetic properties.
Guérard, F; Le Bris, C; Paillard, C; Stiger-Pouvreau, V, 2013)		1.83
" A further 14-25% improvement in aqueous phase removal of the TrOCs was consistently observed following a one-off dosing of 3g/L granular activated carbon (GAC)."( The effects of mediator and granular activated carbon addition on degradation of trace organic contaminants by an enzymatic membrane reactor.
Guo, W; Hai, FI; Leusch, FD; Magram, SF; Nghiem, LD; Ngo, HH; Nguyen, LN; Price, WE; Roddick, F, 2014)		0.4
" UV irradiation influenced the enzyme production with higher exposure time (8 minutes) but the maximum dosage led to inhibition in fungal growth and low enzyme production."( Strain improvement of Trametes hirsuta by physical and chemical mutagenesis for better laccases production.
Khanam, R; Prasuna, RG, 2013)		0.61
" The treated effluent showed significant toxicity at SA concentrations beyond 10μM, providing further evidence that higher dosage of SA must be avoided."( Laccase-syringaldehyde-mediated degradation of trace organic contaminants in an enzymatic membrane reactor: Removal efficiency and effluent toxicity.
Hai, FI; Kang, J; Leusch, FD; Magram, SF; Nghiem, LD; Nguyen, LN; Price, WE; Roddick, F; van de Merwe, JP, 2016)		1.88
" In this paper, pristine few layer graphene (FLG) was applied to interact with laccase to synthesize laccase-graphene composite and the results of AFM, FT-IR and adsorption isotherm suggested that laccase was loaded on the FLG with a very high loading dosage (221."( Non-covalent assembled laccase-graphene composite: Property, stability and performance in beta-blocker removal.
Cao, Y; Dong, S; Gao, S; Jing, X; Mao, L; Xia, E, 2019)		1.05
" pH, catalyst dosage and the pollutants concentration which was further validated with experimental studies."( Bioremediation of multifarious pollutants using laccase immobilized on magnetized and carbonyldiimidazole-functionalized cellulose nanofibers.
Banat, F; Kaur, M; Kaushik, A; Pathania, D; Rattan, G; Sharma, K; Singhal, S; Tewatia, P, 2023)		1.17
" High performance liquid chromatography coupled with atmospheric pressure chemical ionization-ion trap mass spectrometry (HPLC-APCI-MS) analyses of the degradation products of diclofenac in aqueous dosage revealed the presence of at least seven products while HR Orbitrap MS analysis showed that the enzymatic treatment produced high molecular weight metabolites through a radical oligomerization mechanism of diclofenac."( Removal and degradation of sodium diclofenac via radical-based mechanisms using S. sclerotiorum laccase.
Coman, C; Hădade, N; Moț, AC; Pesek, S; Silaghi-Dumitrescu, R, 2023)		1.13
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (4,126)

TimeframeStudies, This Drug (%)All Drugs %
pre-1990114 (2.76)18.7374
1990's189 (4.58)18.2507
2000's998 (24.19)29.6817
2010's1995 (48.35)24.3611
2020's830 (20.12)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 50.24

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be very strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index50.24 (24.57)
Research Supply Index8.36 (2.92)
Research Growth Index5.26 (4.65)
Search Engine Demand Index85.50 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (50.24)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials2 (0.05%)5.53%
Reviews218 (5.09%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other4,060 (94.86%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
2,3-dihydroxybenzoic acid
2,3-dihydroxybenzoic acid: RN given refers to parent cpd. dihydroxybenzoic acid : Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives.. 2,3-dihydroxybenzoic acid : A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta.		1.9610dihydroxybenzoic acidhuman xenobiotic metabolite;
plant metabolite
ethylene chlorohydrin
Ethylene Chlorohydrin: Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.. chloroethanol : An organochlorine compound that is ethanol substituted by at least one chloro group.		2.0410chloroethanolxenobiotic metabolite
protocatechuic acid
protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.		2.0310catechols;
dihydroxybenzoic acid		antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite
3-hydroxyanthranilic acid
3-Hydroxyanthranilic Acid: An oxidation product of tryptophan metabolism. It may be a free radical scavenger and a carcinogen.. 3-hydroxyanthranilic acid : An aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan.. 3-hydroxyanthranilate : A hydroxybenzoate that is the conjugate base of 3-hydroxyanthranilic acid.		8.4170aminobenzoic acid;
monohydroxybenzoic acid		human metabolite;
mouse metabolite
4-hydroxybenzaldehyde
[no description available]		2.7130hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
4-hydroxyphenylacetic acid
4-hydroxyphenylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.		2.9440monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.		3.360monohydroxybenzoic acidalgal metabolite;
plant metabolite
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.		4.1640monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).		3.6890ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
adenine
[no description available]		2.6106-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
adipic acid
adipic acid : An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane.		3.2110alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		food acidity regulator;
human xenobiotic metabolite
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.		4.0740azane;
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
anthranilic acid
anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.		2.110aminobenzoic acidhuman metabolite;
mouse metabolite
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.		2.1310arsenic oxoacidEscherichia coli metabolite
quinacrine
Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.. quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.		210acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
benzaldehyde
[no description available]		2.5220benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
benzene
[no description available]		3.3860aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.		3.1740benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
benzyl alcohol
Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.		2.7530benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
betaine
glycine betaine : The amino acid betaine derived from glycine.		7.6620amino-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)		2.9240halide anion;
monoatomic bromine
hydrobromic acid
Hydrobromic Acid: Hydrobromic acid (HBr). A solution of hydrogen bromide gas in water.. hydrobromide : Salts formally resulting from the reaction of hydrobromic acid with an organic base.. hydrogen bromide : A diatomic molecule containing covalently bonded hydrogen and bromine atoms.		2.0610gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
1-butanol
1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.		2.420alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
carbamates
[no description available]		3.5170amino-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.		3.6820monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
catechol
[no description available]		5.21450catecholsallelochemical;
genotoxin;
plant 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).		12.49860alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas
choline
[no description available]		3.0840cholinesallergen;
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.		2.7930tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion.		4.45210halide 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.		2.1710chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
4-vinylguaiacol
2-methoxy-4-vinylphenol: a germination inhibitor; also an odorant in green tea; structure in first source. 2-methoxy-4-vinylphenol : A member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group.		2.1710phenolsflavouring agent;
pheromone;
plant 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).		2.110monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
3-cresol
3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.		2.1510cresolhuman xenobiotic metabolite
octane
Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms.		2.7330alkanexenobiotic
phloroglucinol
Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.. phloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5.		8.1450benzenetriol;
phenolic donor		algal metabolite
gallic acid
gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.		5.08390trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
hydrogen sulfide
Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.		2.2510gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator 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.		2.610(omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid		human metabolite
guaiacol
Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.		4.81310guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant 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.		2.01102-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental 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.		3.24502-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna 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.		3.4370sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy		2.1310aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
glycine
[no description available]		7.7330alpha-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
glyceraldehyde
Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.. glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.. aldose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.		2.0510aldotriosefundamental metabolite
glyceric acid
glyceric acid: found in urine of patient with D-glyceric acidemia & hyperglycinaemia; RN given refers to parent cpd without isomeric designation. glycerol ether : Any ether having glyceryl as at least one of the O-substituents.. glyceric acid : A trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups.		2.5320trionic acidfundamental metabolite
glycerol
Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.		3.6280alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
glycolic acid
glycolic acid: RN given refers to parent cpd. glycolic acid : A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated.		2.15102-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite
histamine
[no description available]		2.2110aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
homogentisic acid
Homogentisic Acid: Dihydroxyphenylacetic acid with hydroxyls at the 2 and 5 positions of the phenyl ring.. homogentisic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions.		2.6620dihydroxyphenylacetic acid;
hydroquinones		human metabolite;
plant metabolite
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.		3.1750elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite
hydroquinone
[no description available]		4.59240benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
hydroxylamine
amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group.		2.0210hydroxylaminesalgal metabolite;
bacterial xenobiotic metabolite;
EC 1.1.3.13 (alcohol oxidase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
nitric oxide donor;
nucleophilic reagent
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.		2.9740imidazole
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.		710indole-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..		3.1750diatomic iodinenutrient
dihydroxyphenylalanine
Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring.		8.2560hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite
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.		2.2510aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite
2,3,4,5-tetrahydroxypentanal
[no description available]		2.1510hydroxyaldehyde;
pentose;
polyol
malonic acid
malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.. dicarboxylic acid : Any carboxylic acid containing two carboxy groups.		2.0210alpha,omega-dicarboxylic acidhuman metabolite
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.		8.311150alkyl 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.		7.5220inositol phosphate
naphthalene
[no description available]		3.4870naphthalenes;
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.		7.7930metal allergen;
nickel group element atom		epitope;
micronutrient
nitrates
Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.		3.4670monovalent 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.		2.2110nitrogen oxoacidprotic 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)		1.9610monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
nitrous oxide
Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream.		2.3110gas molecular entity;
nitrogen oxide		analgesic;
bacterial metabolite;
food packaging gas;
food propellant;
general anaesthetic;
greenhouse gas;
inhalation anaesthetic;
NMDA receptor antagonist;
raising agent;
refrigerant;
vasodilator agent
hydroxide ion
[no description available]		2.420oxygen hydridemouse metabolite
oxalic acid
Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.		2.4520alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
4-aminobenzoic acid
4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.		3.1750aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
4-nitrophenol
4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.		7.52204-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
palmitic acid
Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.		2.0310long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite
parathion
[no description available]		7.610C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite
pentachlorophenol
PENTA: structure given in first source		4.01130aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'		4.18150ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
phenol
[no description available]		5.06390phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
phenethylamine
phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016. 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.		2.0210alkaloid;
aralkylamine;
phenylethylamine		Escherichia coli metabolite;
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.		2.610benzenedicarboxylic acidhuman xenobiotic metabolite
diphosphoric acid
diphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid.		2.2510acyclic phosphorus acid anhydride;
phosphorus oxoacid		Escherichia coli metabolite
pqq cofactor
PQQ Cofactor: A pyrrolo-quinoline having two adjacent keto-groups at the 4 and 5 positions and three acidic carboxyl groups. It is a coenzyme of some DEHYDROGENASES.. pyrroloquinoline quinone : A pyrroloquinoline having oxo groups at the 4- and 5-positions and carboxy groups at the 2-, 7- and 9-positions.		2.9140orthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid		anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role)
propionic acid
propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.		2.4920saturated fatty acid;
short-chain fatty acid		antifungal drug
pyrogallol
benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.		4.89330benzenetriol;
phenolic donor		plant metabolite
dithionite
Dithionite: Dithionite. The dithionous acid ion and its salts.		2.0610sulfur oxide;
sulfur oxoanion
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).		3.2350divalent inorganic anion;
sulfur oxide;
sulfur oxoanion
sulfuric acid
sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.		2.830sulfur oxoacidcatalyst
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.		2.0510primary 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.		2.7530methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
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.		2.0510uric acidEscherichia 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.		3.4270isourea;
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).		4.32180benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies.		2.0510non-proteinogenic alpha-amino acid
menthol
Menthol: A monoterpene cyclohexanol produced from mint oils.		7.0810p-menthane monoterpenoid;
secondary alcohol		volatile oil component
1-aminobenzotriazole
[no description available]		8.3260
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.		6.06200aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
1-methylimidazole
1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position.		7.4110imidazoles
2,2'-dipyridyl
2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'.		2.1110bipyridinechelator;
ferroptosis inhibitor
2,4,5-trichlorophenoxyacetic acid
2,4,5-Trichlorophenoxyacetic Acid: An herbicide with strong irritant properties. Use of this compound on rice fields, orchards, sugarcane, rangeland, and other noncrop sites was terminated by the EPA in 1985. (From Merck Index, 11th ed). (2,4,5-trichlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines.		2.4110chlorophenoxyacetic acid;
trichlorobenzene		defoliant;
phenoxy herbicide;
synthetic auxin
2,4,6-tribromophenol
[no description available]		2.0510bromophenolenvironmental contaminant;
fungicide;
marine metabolite
2,4-dichlorophenoxyacetic acid
2,4-Dichlorophenoxyacetic Acid: An herbicide with irritant effects on the eye and the gastrointestinal system.. 2,4-D : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines.		7.7530chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
2,4-dinitrophenol
2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.		8.8220dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
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.		2.4920alkanethiol;
primary alcohol		geroprotector
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.		2.3920guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
4-hydroxybenzoic acid hydrazide
4-hydroxybenzoic acid hydrazide: metabolite of nifuroxazide. 4-hydroxybenzohydrazide : A carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine.		2.2510carbohydrazide;
phenols
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.		4.04130acetamides;
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
alachlor
alachlor : An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom.		2.1710aromatic amide;
monocarboxylic acid amide;
organochlorine compound		environmental contaminant;
herbicide;
xenobiotic
ampyrone
Ampyrone: A metabolite of AMINOPYRINE with analgesic and anti-inflammatory properties. It is used as a reagent for biochemical reactions producing peroxides or phenols. Ampyrone stimulates LIVER MICROSOMES and is also used to measure extracellular water.		2.4620primary amino compound;
pyrazolone		antipyretic;
antirheumatic drug;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
marine xenobiotic metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
acetovanillone
apocynin : An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3.		2.0410acetophenones;
aromatic ketone;
methyl ketone		antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
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.		7.610benzoic 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
atenolol
Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.		7.5820ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
atrazine
[no description available]		7.830chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
azobenzene
azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure. (E)-azobenzene : The (E)-isomer of azobenzene.. (Z)-azobenzene : The (Z)-isomer of azobenzene.. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.		7.2110azobenzenes
bentazone
bentazone: RN given refers to parent cpd; structure. bentazone : A benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3.		2.7630benzothiadiazineenvironmental contaminant;
herbicide;
xenobiotic
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.		3.9110ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
butylbenzyl phthalate
spatozoate: structure in first source		2.0710benzyl ester
carbamazepine
Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.		3.2250dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carbofuran
Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed)		2.15101-benzofurans;
carbamate ester		acaricide;
agrochemical;
avicide;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nematicide
cetirizine
Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.		2.1110ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
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.		2.8830quaternary ammonium ion
chloroquine
Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.		2.4220aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorpromazine
Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.		2.3720organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpyrifos
Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.		3.0340chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
ciprofloxacin
Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.		8.0840aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
clomipramine
Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.. clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.		3.1710dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
4-cresol
4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.		3.0140cresolEscherichia coli metabolite;
human metabolite;
uremic toxin
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.		7.1710aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound		agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide
dibutyl phthalate
Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.		8.0120diester;
phthalate ester		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
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.		4.04120amino 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
ddt
1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source		2.7530benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
dichlorophen
Dichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.)		3.0140bridged diphenyl fungicide;
diarylmethane
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.		2.0510organic cation
benzophenone
benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.		7.610benzophenonesphotosensitizing agent;
plant metabolite
diuron
Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.		2.61203-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene		environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
endosulfan
Endosulfan: A polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish. (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61). endosulfan : A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10.		7.5320cyclic sulfite ester;
cyclodiene organochlorine insecticide		acaricide;
agrochemical;
GABA-gated chloride channel antagonist;
persistent organic pollutant
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.		2.4520
fluconazole
Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.		2.0310conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
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.		2.1310nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine
Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.		2.4110(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
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.		2.5920chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
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.		7.7830dihydroxybenzoic acidEC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite
glutaral
Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.		4.6230dialdehydecross-linking reagent;
disinfectant;
fixative
glyphosate
glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS).		7.7630glycine derivative;
phosphonic acid		agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide
guaifenesin
Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations.		2.7730methoxybenzenes
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.		3.0240carboxamidine;
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.		7.4420phenanthridinesfluorochrome;
intercalator
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine		3.1240monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
indole-3-carbinol
indole-3-carbinol: occurs in edible cruciferous vegetables. indole-3-methanol : An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity.		2.0210indolyl alcoholantineoplastic agent;
plant metabolite
ketoprofen
Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.		8.2550benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
kojic acid
[no description available]		3404-pyranones;
enol;
primary alcohol		Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent
labetalol
Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.. 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.		7.5720benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
mefenamic acid
Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.		2.7220aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
methacrylic acid
methacrylic acid: RN given refers to parent cpd. methacrylic acid : An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group.		2.4720alpha,beta-unsaturated monocarboxylic acid
methomyl
Methomyl: A carbamate insecticide with anticholinesterase activity.. methomyl : A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime.		2.1510aliphatic sulfide;
carbamate ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
nematicide;
xenobiotic
methoxychlor
Methoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects.		2.4620organochlorine insecticide
methyl salicylate
methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid.		3.2450benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate
Methylphenidate: A central nervous system stimulant used most commonly in the treatment of ATTENTION DEFICIT DISORDER in children and for NARCOLEPSY. Its mechanisms appear to be similar to those of DEXTROAMPHETAMINE. The d-isomer of this drug is referred to as DEXMETHYLPHENIDATE HYDROCHLORIDE.. methylphenidate : A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.. methyl phenyl(piperidin-2-yl)acetate : A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group.		2.1710beta-amino acid ester;
methyl ester;
piperidines
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.		1.9610C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
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.		210ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
deet
N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide.		7.0810benzamides;
monocarboxylic acid amide		environmental contaminant;
insect repellent;
xenobiotic
niclosamide
Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.		2.0510benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
norfloxacin
Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.		2.4920fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
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.		7.41103-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
oxybenzone
oxybenzone : A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively.		7.5420hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
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).		3.42701,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
4-chlorophenol
4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom.		2.7630monochlorophenol
phenolsulfonphthalein
Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.		3.43702,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
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.		2.0710potassium saltexpectorant;
radical scavenger
4-aminobenzoic acid
para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.		2.0610aminobenzoate;
aromatic amino-acid anion		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
promazine
Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.. promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.		2.4220phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
propyl gallate
Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils.		7.2110trihydroxybenzoic acid
resorcinol
resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.		2.0110benzenediol;
phenolic donor;
resorcinols		erythropoietin inhibitor;
sensitiser
sulfadiazine
Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.. sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.. diazine : The parent structure of the diazines.		7.7620pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
linsidomine
linsidomine: RN given refers to parent cpd; structure		210morpholines
sodium fluoride
[no description available]		3.3970fluoride saltmutagen
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.		2.5820ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
vorinostat
Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).		2.0210dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine
Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.		7.5320aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamethazine
Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position.		7.9840pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethoxazole
Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.		3.8390isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfanilamide
[no description available]		3.2230substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine
Sulfapyridine: Antibacterial, potentially toxic, used to treat certain skin diseases.. sulfapyridine : A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position.		7.7430pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfathiazole
Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.		2.78301,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sulfisoxazole
Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.. sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.		2.610isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
thiram
Thiram: A dithiocarbamate chemical, used commercially in the rubber processing industry and as a fungicide. In vivo studies indicate that it inactivates the enzyme GLUTATHIONE REDUCTASE. It has mutagenic activity and may induce chromosomal aberrations.. thiram : An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment.		7.4110organic disulfideantibacterial drug;
antifungal agrochemical;
antiseptic drug
triclosan
[no description available]		6.78171aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
trimethoprim
Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.		2.1110aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
tyramine
[no description available]		7.5420monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
estriol
hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.		7.071016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
piperonyl butoxide
[no description available]		2.5320benzodioxolespesticide synergist
2-aminophenol
[no description available]		2.0810aminophenolbacterial 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.		1.95102-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
spironolactone
Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827). spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.		7.21103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
estrone
Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.		9.134017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
penicillin g
Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.. benzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.		1.9810penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
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.		7.4820alanine 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.		2.0110L-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
chloramphenicol
Amphenicol: Chloramphenicol and its derivatives.		2.0810C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
aspartic acid
Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.		2.9540aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
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.		2.0210amino 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.		2.0210aspartate 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.		2.9640pseudohalide anionEC 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.		2.0210sulfamic acids
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.		4.78280glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
ethinyl estradiol
Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.		3.57017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
2,3,4,6-tetrachlorophenol
2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.		5.28480tetrachlorophenolxenobiotic metabolite
galactose
galactopyranose : The pyranose form of galactose.		4.7380D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite
carbostyril
Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.		3.4170monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite
levodopa
Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease		4130amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
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.		3.88120ethylenediamine 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.		2.7220benzenes;
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.		5.56210amino 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
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.		3.4260organic chloride saltacid-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.		2.9540amino 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
ethyl methanesulfonate
Ethyl Methanesulfonate: An antineoplastic agent with alkylating properties. It also acts as a mutagen by damaging DNA and is used experimentally for that effect.. ethyl methanesulfonate : A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.		2.0310methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent
aniline
[no description available]		3.4970anilines;
primary arylamine
carbaryl
Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries.. carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid.		2.2110carbamate ester;
naphthalenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
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.		8.1850lactose
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.		8.4270aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
phenylalanine
Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.		7.7430amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
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.		2.0810alkaloid;
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.		3.69100antibiotic 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.		1.9810diether;
tertiary amino compound;
tetracarboxylic acid		chelator
barbituric acid
barbituric acid: RN given refers to parent cpd; structure from Merck Index, 9th ed, #966. barbituric acid : A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active.		2.0510barbituratesallergen;
xenobiotic
dimethylformamide
Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups.		2.1510formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent
mannitol
[no description available]		2.0210mannitolallergen;
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
asparagine
Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.		2.4320amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
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.		3.96120amino 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
alizarin
[no description available]		7.8830dihydroxyanthraquinonechromophore;
dye;
plant 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.		7.7630erythrose 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
isoleucine
Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine.		2.0410aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
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.		7.4920arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
acetonitrile
acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.		3.360aliphatic nitrile;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
carbon disulfide
Carbon Disulfide: A colorless, flammable, poisonous liquid, CS2. It is used as a solvent, and is a counterirritant and has local anesthetic properties but is not used as such. It is highly toxic with pronounced CNS, hematologic, and dermatologic effects.		7.1510one-carbon compound;
organosulfur compound
ethylene oxide
Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.		7.7330gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen
propylene oxide
propylene oxide: structure. 1,2-epoxypropane : An epoxide that is oxirane substituted by a methyl group at position 2.		7.0810epoxide
tetramethylammonium
tetramethylammonium: RN given refers to parent cpd. tetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups.		2.0710quaternary ammonium ion
tert-butyl alcohol
tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2.		2.0510tertiary alcoholhuman xenobiotic metabolite
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.		210alkyl hydroperoxideantibacterial agent;
oxidising agent
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.		2.0310mercaptopropanoic acidalgal metabolite
tetraethoxysilane
[no description available]		2.1510
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.		2.0410chloroethenesinhalation anaesthetic;
mouse metabolite
acrylamide
[no description available]		2.7330acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
acrylic acid
acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.		2.4620alpha,beta-unsaturated monocarboxylic acidmetabolite
tetrabromobisphenol a
tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.		3.0440brominated flame retardant;
bromobisphenol
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.		7.72770bisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
bis(4-hydroxyphenyl)sulfone
bis(4-hydroxyphenyl)sulfone: structure and RN in first source. 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.		3.3510bisphenol;
sulfone		endocrine disruptor;
metabolite
rhodamine b
rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome.		340organic chloride salt;
xanthene dye		fluorescent probe;
fluorochrome;
histological dye
dichlorodicyanobenzoquinone
dichlorodicyanobenzoquinone: request from searcher		1.9610
9,10-anthraquinone
9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.		2.9540anthraquinone
diethyl phthalate
diethyl phthalate: structure. diethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid.		2.0410diester;
ethyl ester;
phthalate ester		neurotoxin;
plasticiser;
teratogenic agent
fluorene
[no description available]		3.4360ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon
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).		2.0310dimethylaniline;
primary arylamine		carcinogenic agent;
drug metabolite
2,6-dichlorophenol
2,6-dichlorophenol: RN given refers to unlabeled cpd. 2,6-dichlorophenol : A dichlorophenol with the chloro substituents at positions 2 and 6.		2.0710dichlorophenol
xylitol
xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues.		2.1110
2,4,6-trichlorophenol
[no description available]		3.84110trichlorophenolcarcinogenic agent
n-vinyl-2-pyrrolidinone
N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source		2.5720pyrrolidin-2-ones
2-furoic acid
2-furoic acid: RN given refers to parent cpd. furoic acid : A monocarboxylic acid that consists of a furan ring having a single carboxylic acid group on any ring position and derivatives thereof.. 2-furoic acid : A furoic acid having the carboxylic acid group located at position 2.		2.2110furoic acidbacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite
thymol
Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene.		2.0510monoterpenoid;
phenols		volatile oil component
1-naphthol
1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.		2.7430naphtholgenotoxin;
human xenobiotic metabolite
2-phenylphenol
2-phenylphenol: RN given refers to parent cpd; structure. biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.		7.4620hydroxybiphenylsantifungal agrochemical;
environmental food contaminant
anthrone
anthrone: used in colorimetric determination of sugar & animal starch in body fluids; structure. anthrone : A member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9.		2.2110anthracenoneradical scavenger
pyrogallol 1,3-dimethyl ether
pyrogallol 1,3-dimethyl ether: structure. 2,6-dimethoxyphenol : A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6.		4.79300dimethoxybenzene;
phenols		plant metabolite
isatin
tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;		210indoledioneEC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
2-naphthylamine
2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.		210naphthylaminecarcinogenic agent
tolonium chloride
Tolonium Chloride: A phenothiazine that has been used as a hemostatic, a biological stain, and a dye for wool and silk. Tolonium chloride has also been used as a diagnostic aid for oral and gastric neoplasms and in the identification of the parathyroid gland in thyroid surgery.. tolonium chloride : An organic chloride salt having 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium (tolonium) as the counterion. It is a blue nuclear counterstain that can be used to demonstrate Nissl substance and is also useful for staining mast cell granules, both in metachromatic and orthochromatic techniques.		2.6120
diphenyl
diphenyl: RN given refers to unlabeled cpd; structure		2.1710aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative
4-phenylphenol
4-phenylphenol: RN given refers to cpd without isomeric designation. biphenyl-4-ol : A member of the class of hydroxybiphenyls that is biphenyl carrying a hydroxy group at position 4.		2.0310hydroxybiphenyls
phenothiazine
10H-phenothiazine : The 10H-tautomer of phenothiazine.		710phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
benzidine
benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group.		7.4420biphenyls;
substituted aniline		carcinogenic agent
veratryl alcohol
(3,4-dimethoxyphenyl)methanol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 3 and 4 of the phenyl group are substituted by methoxy groups.		4.5230benzyl alcohols;
dimethoxybenzene;
primary alcohol		fungal metabolite
veratric acid
veratric acid: RN given refers to parent cpd; structure. 3,4-dimethoxybenzoic acid : A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3.		2.0110benzoic acidsallergen;
plant metabolite
methyleugenol
methyleugenol: structure		2.3110phenylpropanoid
1-phenylpropanol
1-phenylpropanol: structure in first source		2.5920organic molecular entity
propylparaben
Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872)		3.5680benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
benzoyl peroxide
Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry.		3.2310carbonyl compound
2-toluidine
2-toluidine: RN given refers to parent cpd. o-toluidine : An aminotoluene in which the amino substituent is ortho to the methyl group.		2.7630aminotoluenecarcinogenic agent
1,2-diaminobenzene
1,2-diaminobenzene: RN given refers to parent cpd. 1,2-phenylenediamine : A phenylenediamine in which the two amino groups are ortho to each other.		2.7730phenylenediaminehydrogen donor
2-bromophenol
bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms.		2.0510bromophenolmarine metabolite
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms.		7.87302-halophenol;
monochlorophenol
2-methyl-1,4-hydroquinone
2-methyl-1,4-hydroquinone: structure given in first source. toluquinol : A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group.		2.1310hydroquinonesangiogenesis inhibitor;
anti-inflammatory agent;
Penicillium metabolite
2,5-xylidene
2,5-xylidene: RN given refers to parent cpd; structure. 2,5-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 2- and 5-positions are replaced by methyl groups. It is used in the manufacture of dyes and other chemicals.		2.9440dimethylaniline;
primary arylamine
2,4,5-trichlorophenol
2,4,5-trichlorophenol: RN given refers to parent cpd; structure. 2,4,5-trichlorophenol : A trichlorophenol carrying chloro groups at positions 2, 4 and 5.		2.4920trichlorophenol
lactobionic acid
[no description available]		7.7730disaccharideantioxidant
ethylene dimethacrylate
ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol.		2.4620enoate esterallergen;
cross-linking reagent;
polymerisation monomer
furfuryl alcohol
furfuryl alcohol: structure. furfuryl alcohol : A furan bearing a hydroxymethyl substituent at the 2-position.		7.610furans;
primary alcohol		Maillard reaction product
furaldehyde
Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.		3.3350aldehyde;
furans		Maillard reaction product;
metabolite
nitrobenzene
nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.		2.2110nitroarene;
nitrobenzenes
alpha-resorcylic acid
alpha-resorcylic acid: RN given refers to parent cpd. 3,5-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 5.		2.0210dihydroxybenzoic acid;
resorcinols		metabolite
trehalose
alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.		2.3110trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
methyl gallate
methyl gallate: has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum. methyl 3,4,5-trihydroxybenzoate : A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties.		2.110gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite
dimethyl-4-phenylenediamine
dimethyl-4-phenylenediamine: RN given refers to parent cpd; structure		2.4320diamine;
substituted aniline
ethylbenzene
[no description available]		2.5120alkylbenzene
styrene
Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.		2.0310styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
benzonitrile
benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.		7.0210benzenes;
nitrile
phenylhydrazine
[no description available]		2.0110phenylhydrazinesxenobiotic
diphenylmethane
diphenylmethane : A diarylmethane that is methane substituted by two phenyl groups.		2.1710diarylmethane
phenyl ether
diphenyl ether : An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.		210aromatic etherplant metabolite
4-anisidine
4-anisidine: RN given refers to parent cpd. p-anisidine : A substituted aniline that is aniline in which the hydrogen para to the amino group has been replaced by a methoxy group. It is used as a reagent for the detection of oxidation products such as aldehydes and ketones in fats and oils.		2.4620methoxybenzenes;
primary amino compound;
substituted aniline		genotoxin;
reagent
anisyl alcohol
anisyl alcohol: structure given in first source		2.0110benzyl alcohols
caprolactam
Caprolactam: Cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. Can cause local irritation.. epsilon-caprolactam : A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.		2.8630caprolactamshuman blood serum metabolite
2,4-dimethylphenol
2,4-dimethylphenol: RN given refers to parent cpd. 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4.		7.0410aromatic fungicide;
phenols		disinfectant;
volatile oil component
4-bromophenol
4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another.		2.0510bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
4-xylene
p-xylene : A xylene with methyl groups at positions 1 and 4.		2.2110xylene
4-phenylenediamine
4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd. 1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.		2.4820phenylenediamineallergen;
dye;
hapten;
reagent
epichlorohydrin
Epichlorohydrin: A chlorinated epoxy compound used as an industrial solvent. It is a strong skin irritant and carcinogen.. epichlorohydrin : An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine.		2.0510epoxide;
organochlorine compound
glycidyl methacrylate
glycidyl methacrylate: RN given refers to monomer. glycidyl methacrylate : An enoate ester obtained by formal condensation of the carboxy group of methacrylic acid with the hydroxy group of glycidol.		2.4720enoate ester;
epoxide
acrolein
[no description available]		2.4220enalherbicide;
human xenobiotic metabolite;
toxin
allylamine
Allylamine: Possesses an unusual and selective cytotoxicity for VASCULAR SMOOTH MUSCLE cells in dogs and rats. Useful for experiments dealing with arterial injury, myocardial fibrosis or cardiac decompensation.		7.4720alkylamine
allyl alcohol
allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds.		2.2510primary allylic alcohol;
propenol		antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
glyoxal
[no description available]		2.0510dialdehydeagrochemical;
allergen;
pesticide;
plant growth regulator
maleic anhydride
Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns.. maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid.		7.3110cyclic dicarboxylic anhydride;
furans		allergen
cyanuric chloride
cyanuric chloride : A chloro-1,3,5-triazine in which the triazine ring is substituted on each carbon by chlorine. Its main use is in the preparation of the triazine-class pesticides.		7.0510chloro-1,3,5-triazine;
organochlorine compound		cross-linking reagent
pyrroles
1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.		3.7190pyrrole;
secondary amine
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.		2.830mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent
diethanolamine
diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.		2.2510ethanolamineshuman xenobiotic metabolite
n-dodecane
dodecane : A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).		2.0710alkaneplant metabolite
2,2,2-trichloroethanol
[no description available]		2.0410chloroethanolmouse metabolite
bromphenol blue
Bromphenol Blue: A dye that has been used as an industrial dye, a laboratory indicator, and a biological stain.. bromophenol blue : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3,5-dibromo-4-hydroxyphenyl groups. It is used as a laboratory indicator, changing from yellow below pH 3 to purple at pH 4.6, and as a size marker for monitoring the progress of agarose gel and polyacrylamide gel electrophoresis. It has also been used as an industrial dye.		3.01402,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone		acid-base indicator;
dye;
two-colour indicator
bromcresol purple
Bromcresol Purple: An indicator and reagent. It has been used for several purposes including the determination of serum albumin concentrations. bromocresol purple : A member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-methylphenyl groups. A hydrophilic dye that is used as a pH indicator and to measure serum albumin concentrations.		2.13102,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
polyphenol;
sultone		acid-base indicator;
dye;
two-colour indicator
hexachlorobenzene
Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.		2.4110aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
chloranil
Chloranil: A quinone fungicide used for treatment of seeds and foliage.. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines.		1.99101,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
trinitrotoluene
Trinitrotoluene: A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences.. 2,4,6-trinitrotoluene : A trinitrotoluene having the nitro groups at positions 2, 4 and 6.		2.9640trinitrotolueneexplosive
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.		2.4420aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
dianisidine
Dianisidine: Highly toxic compound which can cause skin irritation and sensitization. It is used in manufacture of azo dyes.		2.4920biphenyls
2-tolidine
2-tolidine: RN given refers to parent cpd; structure		2.7130biphenyls
scoparone
scoparone: structure. scoparone : A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities.		2.1110aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
anthracene
acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives.		4.41200acene;
anthracenes;
ortho-fused tricyclic hydrocarbon
veratraldehyde
[no description available]		2.0810benzaldehydes;
dimethoxybenzene		antifungal agent
2-naphthalenesulfonic acid
naphthalene-2-sulfonic acid : A naphthalenesulfonic acid in which the sulfo group is linked to position 2 of the naphthalene ring.		2.0710naphthalenesulfonic acidenvironmental contaminant;
xenobiotic
clorophene
[no description available]		2.1310
2,4-dichlorophenol
2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure. 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4.		4.47200dichlorophenol
vanillic acid
Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.		10.26150methoxybenzoic acid;
monohydroxybenzoic acid		plant metabolite
1,4-naphthoquinone
naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.. 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.		2.21101,4-naphthoquinones
syringaldehyde
syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity.		4.01130dimethoxybenzene;
hydroxybenzaldehyde		hypoglycemic agent;
plant metabolite
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.		4130naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
nitrilotriacetic acid
Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)		2.4520NTA;
tricarboxylic acid		carcinogenic agent;
nephrotoxic agent
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol.		3.0540acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
pregnenolone
[no description available]		2.041020-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid		human metabolite;
mouse metabolite
copper phthalocyanine
copper phthalocyanine: structure. copper(II) phthalocyanine : A metallophthalocyanine that is copper(2+) forming a coordination complex with phthalocyanine. It is a synthetic blue pigment which is used as a colorant in paints and dyes.		2.4920
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.		210dithiocarbamic acidschelator;
copper chelator
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.		5.67230catechinantioxidant;
plant metabolite
phenetidine
Phenetidine: Used in the manufacture of acetophenetidin.. 4-ethoxyaniline : An aromatic ether that is aniline in which the hydrogen at position 4 is replaced by an ethoxy group. It is a hydrolysis metabolite of phenacetin.		2.0710aromatic ether;
primary amino compound;
substituted aniline		drug metabolite
perylene
Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings.		2.110ortho- and peri-fused polycyclic arene;
perylenes
fluoranthene
fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring.		2.5520ortho- and peri-fused polycyclic arene
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.		2.2510acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin
benzofuran
benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.		7.06101-benzofurans;
benzofuran
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.		2.1710cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
oxazoles
Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.		2.97401,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
thiazoles
[no description available]		3.44701,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
hydrazine
diamine : Any polyamine that contains two amino groups.		2.8220azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
thiocyanate
thiocyanate: RN given refers to parent cpd. thiocyanate : A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.		1.9810pseudohalide anion;
sulfur molecular entity		human metabolite
evans blue
Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly.. Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.		7.7830organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
perfluorooctanoic acid
perfluorooctanoic acid: RN given refers to parent cpd. perfluorooctanoic acid : A fluoroalkanoic acid that is perfluorinated octanoic acid.		2.9130fluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
4-methylcatechol
[no description available]		2.1510methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite
4-toluenesulfonyl fluoride
4-toluenesulfonyl fluoride: inhibitor of peptide hydrolases; structure in second source		210
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.		2.7630calcium 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.		4.28170
diphenic acid
[no description available]		1.9910dicarboxylic acid
9-fluorenone
fluoren-9-one : The simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9.		2.5320fluoren-9-onesfungal xenobiotic metabolite
indole-3-carbaldehyde
indole-3-carbaldehyde: metabolite of tryptophan; structure. indole-3-carbaldehyde : A heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group.		2.0210heteroarenecarbaldehyde;
indole alkaloid;
indoles		bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite
methyl red
methyl red: RN given refers to parent cpd; structure. methyl red : An azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group.		8.1850
indophenol
Indophenol: A deep blue dye (with the formula OC6H4NC6H4OH) used to detect AMMONIA in a common test called the Berthelot's reaction and to detect PARACETAMOL by spectrophotometry.. indophenol : A quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline.		210quinone iminedye
1,3-cyclohexanedione
1,3-cyclohexanedione: structure. cyclohexane-1,3-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 3.		2.0810beta-diketone;
cyclohexanedione
orcinol
orcinol: used as reagent for pentoses, lignin, beet sugar, saccharoses, arabinose & diastase; RN given refers to parent cpd; structure. orcinol : A 5-alkylresorcinol in which the alkyl group is specified as methyl.		2.03105-alkylresorcinol;
dihydroxytoluene		Aspergillus metabolite
cyanogen bromide
Cyanogen Bromide: Cyanogen bromide (CNBr). A compound used in molecular biology to digest some proteins and as a coupling reagent for phosphoroamidate or pyrophosphate internucleotide bonds in DNA duplexes.		210
abietic acid
abietic acid : An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.		210abietane diterpenoid;
monocarboxylic acid		plant metabolite
triphenylmethane
triphenylmethane : A triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes.		3.4570triarylmethaneenvironmental contaminant;
xenobiotic
luminol
Luminol: 5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations.		7.5920
n-hydroxyphthalimide
N-hydroxyphthalimide: causes contact dermititis		2.7830
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.		2.0810gluconic acidchelator;
Penicillium metabolite
copper gluconate
Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters.		2.0810organic molecular entity
cellobiose
beta-cellobiose : A cellobiose with beta configuration at the reducing-end glucose residue.		2.7530cellobioseepitope
syringic acid
syringic acid: RN given refers to parent cpd; structure in third source. syringic acid : A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid.		8.2960benzoic acids;
dimethoxybenzene;
phenols		plant metabolite
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.		1.9810alpha-hydroxy ketone;
cyclic ketone;
enol		bacterial metabolite;
fungicide;
toxin
benzyl sulfide
[no description available]		2.0110
2,2,4-trimethylpentane
2,2,4-trimethylpentane: nephrotoxic. isooctane : An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.		2.0110alkane;
volatile organic compound		fuel additive;
nephrotoxin;
non-polar solvent
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.		2.5520dialdehydebiomarker
violacein
[no description available]		210
gentian violet
Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.		4120organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
malachite green
malachite green: RN given refers to parent cpd; structure. malachite green : An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture.		5.07370organic chloride saltantibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent
1,4-naphthohydroquinone
naphthohydroquinone : A hydroxynaphthalene that is naphthalene-1,4-diol and its C-substituted derivatives.		2.0710naphthalenediol;
naphthohydroquinone
congo red
Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS.. Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0.		4.65220bis(azo) compound
docusate
Dioctyl Sulfosuccinic Acid: All-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries. It has also been used in laxatives and as cerumenolytics. It is usually administered as either the calcium, potassium, or sodium salt.		2.0510diester;
organosulfonic acid
2,7-dihydroxynaphthalene
[no description available]		2.1310
2-benzoquinone
2-benzoquinone: reacts with methionines of RNAase at pH 1; reagent for determining conformational differences in related proteins. 1,2-benzoquinone : A benzoquinone resulting from the formal oxidation of catechol.		1.98101,2-benzoquinones;
benzoquinone
succinimide
succinimide: RN given refers to parent cpd. succinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5.		2.2110dicarboximide;
pyrrolidinone
3-methoxybenzoic acid
[no description available]		7.2510methoxybenzoic acidflavouring agent;
human urinary metabolite
diphenylamine
Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.		2.4920aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
3,5-dichlorophenol
3,5-dichlorophenol : A dichlorophenol in which the two chloro substituents are located at positions 3 and 5.		210dichlorophenol
2,6-dibromophenol
2,6-dibromophenol : A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines.		2.4520bromohydrocarbon;
dibromophenol		marine metabolite
2,4-dibromophenol
2,4-dibromophenol : A bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines.		2.0510brominated flame retardant;
bromophenol;
dibromobenzene		marine metabolite
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.		2.4420acetylcysteine;
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
2,6-dichloro-4-nitrophenol
[no description available]		2.0810
2,5-dimethylfuran
2,5-dimethylfuran: metabolite of n-hexane. 2,5-dimethylfuran : A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups.		2.0810furansantifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite
3,5-dichloroaniline
[no description available]		7.4110dichloroaniline
docosane
docosane : A straight-chain alkane with 22 carbon atoms.		2.3110long-chain alkaneplant metabolite
c.i. 42510
Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin.		5.25450
2-pyrrolecarboxylic acid
2-pyrrolecarboxylic acid: hypocalcemic action; structure. pyrrole-2-carboxylic acid : A pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2.		2.1310pyrrolecarboxylic acidplant metabolite
erythromycin
Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.		2.1110cyclic ketone;
erythromycin
2-methylimidazole
[no description available]		7.610
2,6-dichlorobenzoquinone
2,6-dichlorobenzoquinone : A member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 6 have been replaced by chlorines. A highly toxic and carcinogenic disinfection by-product found in drinking water.		2101,4-benzoquinones;
organochlorine compound		carcinogenic agent;
poison
hydroxyethyl methacrylate
hydroxyethyl methacrylate: many of cited refs are for gel which refers to polymeric form of above cpd: POLYHYDROXYETHYL METHACRYLATE. 2-hydroxyethyl methacrylate : An enoate ester that is the monomethacryloyl derivative of ethylene glycol.		2.2110enoate esterallergen;
polymerisation monomer
amaranth dye
Amaranth Dye: A sulfonic acid-based naphthylazo dye used as a coloring agent for foodstuffs and medicines and as a dye and chemical indicator. It was banned by the FDA in 1976 for use in foods, drugs, and cosmetics. (From Merck Index, 11th ed)		2.2510
dodecylamine
dodecylamine: RN given refers to parent cpd		2.0510primary aliphatic amine
3-methoxycatechol
3-methoxycatechol : A member of the class of catechols that is catechol in which a hydrogen that is ortho to one of the hydroxy groups has been replaced by a methoxy group. It displays agonistic activity against G protein-coupled receptor 35 (GPR35).		7.5720aromatic ether;
catechols		G-protein-coupled receptor agonist
2,6-dichloroindophenol
2,6-Dichloroindophenol: A dye used as a reagent in the determination of vitamin C.. 2,6-dichloroindophenol : A quinone imine that is indophenol substituted by chloro groups at positions 2 and 6.. N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine : 1,4-benzoquinone imine having a 3,5-dichloro-4-hydroxyphenyl substituent attached to the nitrogen atom.		2.4320dichlorobenzene;
quinone imine
endosulfan sulfate
[no description available]		2.5320
lauryl gallate
[no description available]		3.3460gallate ester
carmine
Carmine: Coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker.		2.6120
calcium peroxide
[no description available]		3.2310calcium oxides
durapatite
Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH).		2.7330
potassium hydroxide
potassium hydroxide: RN given refers to cpd with MF of K-OH		2.5920alkali metal hydroxide
sodium hydroxide
Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)		8.1950alkali metal hydroxide
manganese dioxide
[no description available]		210manganese molecular entity;
metal oxide
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.		8.2450zinc molecular entity
molybdenum disulfide
[no description available]		2.2510sulfide salt
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.		2.0110alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
bromoxynil
bromoxynil: RN given refers to parent cpd; structure. 3,5-dibromo-4-hydroxybenzonitrile : A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4.		2.0510dibromobenzene;
hydroxynitrile;
phenols		environmental contaminant;
herbicide;
xenobiotic
decane
decane : A straight-chain alkane with 10 carbon atoms.		2.0710alkane
stearylamine
stearylamine: RN given refers to parent cpd. octadecan-1-amine : An 18-carbon primary aliphatic amine.		3.0940primary aliphatic aminefilm-forming compound
tetrachloroisophthalonitrile
tetrachloroisophthalonitrile: structure. chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.		2.2510aromatic fungicide;
dinitrile;
tetrachlorobenzene		antifungal agrochemical
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.		2.4720organic cationgeroprotector;
herbicide
orange g
orange G : An organic sodium salt that is the disodium salt of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is often combined with other yellow dyes in alcoholic solution to stain erythrocytes in trichrome methods, and is used for demonstrating cells in the pancreas and pituitary.		3.2960
methiocarb
Methiocarb: Insecticide, molluscacide, acaricide.. methiocarb : A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfanyl)phenol with the carboxy group of methylcarbamic acid.		2.1510aryl sulfide;
carbamate ester;
methyl sulfide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
molluscicide;
xenobiotic
2,4-diacetylphloroglucinol
2,4-diacetylphloroglucinol: produced by Pseudomonas aurantiaca. 2,4-diacetylphloroglucinol : A benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups.		7.0410aromatic ketone;
benzenetriol;
diketone;
methyl ketone		antifungal agent;
bacterial metabolite
n-isopropylacrylamide
N-isopropylacrylamide: can polymerize with glycidyl acrylate to form reactive water-soluble polymer that can react with the amino groups of enzymes-proteins or other ligands		2.1710
direct blue 15
direct blue 15: RN given refers to tetra-Na salt. Pontamine sky blue 5B : An organic sodium salt resulting from the formal condensation of Pontamine sky blue 5B (acid form) with four equivalents of sodium hydroxide.		2.0510
acetosyringone
acetosyringone: plant inducer which induces expression of VirE & VirG in A. tumefaciens. acetosyringone : A member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.		3.96120acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
gamma-glycidoxypropyltrimethoxysilane
3-glycidyloxypropyltrimethoxysilane: used to immobilize carbonic anhydrase into mesoporous supports; structure in first source		2.0710
3-(trimethoxysilyl)propyl methacrylate
3-(trimethoxysilyl)propyl methacrylate: structure in first source		2.1510
direct blue 6
[no description available]		2.0310
c.i. direct blue 1
[no description available]		2.7330
direct red 81
Direct Red 81: RN given refers to disodium salt; structure given in first source. Sirius red 4B : An organic sodium salt resulting from the formal condensation of Sirius red 4B (acid form) with two equivalents of sodium hydroxide. Used as the plasma stain in some trichrome staining methods.		2.3110
acid black 24
[no description available]		2.3110
2,2-bis(bromomethyl)-1,3-propanediol
2,2-bis(bromomethyl)-1,3-propanediol: structure given in first source		2.2110primary alcohol
fluorescein-5-isothiocyanate
Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.		2.1710fluorescein isothiocyanate
levanol fast cyanine 5rn
Levanol Fast Cyanine 5RN: RN given refers to parent cpd		2.2110
sabinene
sabinene: RN given refers to cpd without isomeric designation. sabinene : A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species.		3.5780thujeneplant metabolite
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.		2.73301,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent
Brilliant Blue
brilliant blue: coal tar derivative food dye; used as the di-NH4 or di-Na salts; RN given refers to parent cpd		7.7730organic molecular entity
isobutylparaben
isobutylparaben: structure in first source		7.05104-hydroxybenzoate ester
direct blue 71
Direct Blue 71: structure in first source		2.0410
green 5
D & C green 5: coloring agent in drugs and cosmetics		2.2110
(3-mercaptopropyl)trimethoxysilane
[no description available]		2.0810
olsalazine
olsalazine: cpd with 2 salicylate molecules linked together by an azo bond. olsalazine : An azobenzene that consists of two molecules of 4-aminosalicylic acid joined by an azo linkage. A prodrug for mesalazine, an anti-inflammatory drug, it is used (as the disodium salt) in the treatment of inflammatory bowel disease.		7.3110azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
1-(2-methoxy-5-nitrophenylazo)-2-hydroxy-3-(3-nitrophenylcarbamoyl)naphthalene
[no description available]		2.4110
3-thiophene acetic acid
3-thiophene acetic acid: structure in first source		2.1310
iridium
Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22.		7.5220cobalt group element atom;
platinum group metal atom
lutetium
Lutetium: An element of the rare earth family of metals. It has the atomic symbol Lu, atomic number 71, and atomic weight 175.		2.110d-block element atom;
lanthanoid atom
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.		5.1420elemental 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.		3.6290elemental 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.		8.140chromium group element atommicronutrient
osmium
Osmium: A very hard, gray, toxic, and nearly infusible metal element, atomic number 76, atomic weight 190.2, symbol Os.		7.4720iron group element atom;
platinum group metal atom
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.		7.7530metal 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.		8.2450elemental platinum;
nickel group element atom;
platinum group metal atom
rhodium
Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45.		2.1510cobalt group element atom
ruthenium
Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM.		2.5420iron 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.		4.39190copper group element atom;
elemental silver		Escherichia coli metabolite
terbium
Terbium: An element of the rare earth family of metals. It has the atomic symbol Tb, atomic number 65, and atomic weight 158.92.		7.1110f-block element atom;
lanthanoid atom
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.		3.7290titanium group element atom
argon
Argon: A noble gas with the atomic symbol Ar, atomic number 18, and atomic weight 39.948. It is used in fluorescent tubes and wherever an inert atmosphere is desired and nitrogen cannot be used.		2.3110monoatomic argon;
noble gas atom;
p-block element atom		food packaging gas;
neuroprotective agent
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.		4130cadmium 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.		2.1110f-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.		8.6280chromium 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.		5.53610copper group element atom;
elemental gold
xenon
Xenon: A noble gas with the atomic symbol Xe, atomic number 54, and atomic weight 131.30. It is found in the earth's atmosphere and has been used as an anesthetic.		7.0610monoatomic xenon;
noble gas atom;
p-block element atom
yttrium
Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers.		7.610d-block element atom;
rare earth metal atom;
scandium group element atom
zirconium
Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr.		7.4520titanium group element atom
magnesium sulfate
Magnesium Sulfate: A small colorless crystal used as an anticonvulsant, a cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and eclampsia. It causes direct inhibition of action potentials in myometrial muscle cells. Excitation and contraction are uncoupled, which decreases the frequency and force of contractions. (From AMA Drug Evaluations Annual, 1992, p1083). magnesium sulfate : A magnesium salt having sulfate as the counterion.		2.2110magnesium salt;
metal sulfate;
organic magnesium salt		anaesthetic;
analgesic;
anti-arrhythmia drug;
anticonvulsant;
calcium channel blocker;
cardiovascular drug;
fertilizer;
tocolytic agent
acetylglucosamine
Acetylglucosamine: The N-acetyl derivative of glucosamine.. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre.		2.1510N-acetyl-D-glucosamineepitope
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.		2.0710chlorine oxoacid;
reactive oxygen species		EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite
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.		2.4920iron molecular entity;
metal sulfate		reducing agent
sodium pyrophosphate
sodium pyrophosphate: RN refers to diphosphoric acid, tetra-Na salt; structure. sodium diphosphate : An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt.		210inorganic sodium saltchelator;
food emulsifier;
food thickening agent
sodium sulfite
[no description available]		2.0810inorganic sodium salt;
sulfite salt		food preservative;
reducing 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.		4.79300metal sulfateemetic;
fertilizer;
sensitiser
silver nitrate
Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM.		2.9140inorganic nitrate salt;
silver salt		astringent
calcium hypochlorite
calcium hypochlorite: structure		2.0510calcium salt;
inorganic calcium salt		bleaching agent
zinc phosphate
zinc phosphate: RN given refers to unspecified Zn salt; see also record for ZINC PHOSPHATE CEMENT RN 7779-90-0; hopeite was non-print entry term to ZINC PHOSPHATE CEMENT 1982-91		7.4110
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.		2.8940dihydrogen
fluorine
Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries.		2.5420diatomic fluorine;
gas molecular entity		NMR chemical shift reference compound
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.		3.0140diatomic chlorine;
gas molecular entity		bleaching agent
silver chloride
[no description available]		2.4620inorganic chloride;
silver salt
deuterium oxide
Deuterium Oxide: The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant & Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes.		2.6730deuterated compound;
water		NMR solvent
fluorosulfonic acid
perfluorosulfonic acid: sulfonated tetrafluoroethylene-based fluoropolymer–copolymer		3.1650sulfur oxoacidNMR solvent
galactose
aldohexose : A hexose with a (potential) aldehyde group at one end.		2.0210
zirconium chloride
zirconium tetrachloride : A zirconium coordination entity comprising four chlorine atoms bound to a central zirconium atom.		2.0510inorganic chloride;
zirconium coordination entity		catalyst
ozone
Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.		3.0840elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer
hydroiodic acid
hydrogen iodide : A diatomic molecule containing covalently bonded hydrogen and iodine atoms.		1.9910gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
aluminum sulfate
aluminium sulfate (anhydrous) : An aluminium sulfate that contains no water of crystallisation.		2.0410aluminium sulfate
chlorine dioxide
chlorine dioxide: equal or superior to chlorine when used as wastewater disinfectant		2.0510chlorine dioxide
ferric pyrophosphate
ferric pyrophosphate : An iron coordination entity composed from Fe(3+) cations and diphosphate(4-) anions in a 4:3 ratio.		2.0410iron coordination entity
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.		2.0110cadmium coordination entity
trolamine salicylate
Arthritis: Acute or chronic inflammation of JOINTS.		3.710
ammonium chloride
Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.		2.1710ammonium salt;
inorganic chloride		ferroptosis inhibitor
procion blue mx-r
procion blue MX-R: used in affinity labeling of enzymes; RN given refers to parent cpd		2.0710
titanium dioxide
titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.		3.6380titanium oxidesfood colouring
tiletamine hydrochloride
Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof.		2.0810
3-hydroxycarbofuran
3-hydroxycarbofuran: main metabolite of carbofuran		2.15101-benzofurans
3-ketocarbofuran
[no description available]		2.1510benzofurans
gold tetrachloride, acid
gold tetrachloride, acid: used in root canal therapy; RN given refers to (SP-4-1)		2.0610
hexachloroiridic acid
hexachloroiridic acid: inhibitor of DNA synthesis; K2IrCl6 as oxidizing agent; RN given refers to parent cpd		2.0410
fluorides
[no description available]		3.69100halide anion;
monoatomic fluorine
reactive red 2
reactive red 2: inhibitor of ecto-nucleotidase and P(2y)-selective purinoceptor antagonist; structure in first source. procion red MX-5B : A 2,4-dichloro-1,3,5-triazine with a multi-substituted napthalen-1-ylamino substituent at the 6-position.		2.0710
chromium
chromium hexavalent ion: a human respiratory carcinogen		8.0540chromium cation;
monoatomic hexacation
4-amino-2,6-dinitrotoluene
4-amino-2,6-dinitrotoluene : An amino-nitrotoluene that is 2,6-dinitrotoluene substituted at position 4 by an amino group.		2.0110amino-nitrotolueneexplosive;
fungal xenobiotic metabolite;
marine metabolite
brilliant orange 3r
brilliant orange 3R: RN given refers to di-Na salt; RN for parent cpd not avail 11/92; structure given in first source		340
reactive orange
[no description available]		2.0410
iodine
[no description available]		8.0140halide anion;
monoatomic iodine		human metabolite
osmium tetroxide
Osmium Tetroxide: (T-4)-Osmium oxide (OsO4). A highly toxic and volatile oxide of osmium used in industry as an oxidizing agent. It is also used as a histological fixative and stain and as a synovectomy agent in arthritic joints. Its vapor can cause eye, skin, and lung damage.. osmium tetroxide : An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds.		2.110osmium coordination entityfixative;
histological dye;
oxidising agent;
poison
formetanate
formetanate: minor descriptor (72-85); on-line & Index Medicus search CARBAMATES (72-85); RN given refers to parent cpd		2.5220carbamate esteracaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
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.		3.0240benzenes;
phenyl acetates
acetylacetone
acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.		7.7430beta-diketone
1,4-dioxane
1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4.		2.9830dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent
tetrachloroethylene
Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.		2.0310chlorocarbon;
chloroethenes		nephrotoxic agent
pyrene
pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.		7.9940ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
pirimicarb
pirimicarb: structure. pirimicarb : An aminopyrimidine that is N,N,4,5-tetramethylpyrimidin-2-amine substituted by a (dimethylcarbamoyl)oxy group at position 4.		7.0810aminopyrimidine;
carbamate ester;
tertiary amino compound		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
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.		2.4620
alkenes
[no description available]		2.5220
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.		7.520glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
poly-n,n-dimethyl-n,n-diallylammonium chloride
diallyldimethylammonium chloride: structure in first source		2.110
sodium azide
Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid).		8.91120inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
azides
Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3.		4.18170pseudohalide anionmitochondrial respiratory-chain inhibitor
pirimiphos methyl
pirimiphos methyl: structure. pirimiphos-methyl : An organic thiophosphate that is O,O-dimethyl O-pyrimidin-4-yl phosphorothioate substituted by a methyl group at position 6 and a diethylamino group at position 2.		2.1510aminopyrimidine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
etoposide
[no description available]		2.0810beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
isoproturon
isoproturon : A member of the class of phenylureas that is 1,1-dimethylurea substituted by a p-cumenyl group at position 3. A selective, systemic herbicide used to control annual grasses and broadleaf weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.		2.63203-(3,4-substituted-phenyl)-1,1-dimethylureaagrochemical;
environmental contaminant;
herbicide;
xenobiotic
methyldopa
Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.		7.0610L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
deoxynivalenol
deoxynivalenol : A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.		7.4110cyclic ketone;
enone;
primary alcohol;
secondary alpha-hydroxy ketone;
trichothecene;
triol		mycotoxin
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
[no description available]		2.0510chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
captopril
Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.		7.1310alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fenoxycarb
fenoxycarb: used against mosquitoes (Diptera:Culicidae); structure given in first source. fenoxycarb : A carbamate ester that is the O-ethyl carbamate of 2-(4-phenoxyphenoxy)ethylamine.		2.4620aromatic ether;
carbamate ester		environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic
imazaquin
imazaquin: RN given refer to parent cpd. imazaquin : A racemate comprising equimolar amounts of (R)- and (S)-imazaquin. It is a pre- and post-emergence herbicide used for the control of grasses and broad-leaved weeds.. 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid : A quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl group at position 2.		7.0210imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid
itraconazole
Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.		2.1110aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles		EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
ci 18055
acid violet 7: structure in first source		2.5720
coomassie brilliant blue r
kenacid blue: RN given refers to cpd with unknown MF		7.5520
scarlet red
Scarlet Red: structure. Sudan IV : A bis(azo) compound that is 2-naphthol substituted at position 1 by a {2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections.		2.4110azobenzenes;
bis(azo) compound;
naphthols		carcinogenic agent;
fluorochrome;
histological dye
vanillyl alcohol
vanillyl alcohol: structure. vanillyl alcohol : A monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4.		7.9340benzyl alcohols;
guaiacols		plant metabolite
trifluoromethanesulfonic acid
trifluoromethanesulfonic acid: deblocking reagent for peptide synthesis; RN given refers to parent cpd. triflic acid : A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines.		2.0810one-carbon compound;
perfluoroalkanesulfonic acid
potassium phosphate
potassium phosphate: used in dental materials and to treat hypophosphatemia; RN given refers to cpd with unspecified MF. tripotassium phosphate : An inorganic potassium salt that is the tripotassium salt of phosphoric acid.		7.5120inorganic phosphate salt;
inorganic potassium salt
caloreen
caloreen: glucose polymer with average length of five glucose units for dietary energy supplement. dextrin : Glucans produced by the hydrolysis of starch or glycogen. They are mixtures of polymers of D-glucose units linked by alpha(1->4) or alpha(1->6) glycosidic bonds.		2.0710
octyl glucoside
octyl-beta-D-glucoside: RN given refers to (beta)-isomer. octyl beta-D-glucopyranoside : An beta-D-glucoside in which the anomeric hydrogen of beta-D-glucopyranose is substituted by an octyl group.		2.2510beta-D-glucosideplant metabolite
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.		6.81740hydrochlorideadrenergic 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.		3.1250D-glucopyranoseepitope;
mouse metabolite
cyclen
cyclen: macrocyclic polyamine metal-complexing agent. 1,4,7,10-tetraazacyclododecane : An azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms.		2.1110azacycloalkane;
crown amine;
saturated organic heteromonocyclic parent
diacetylfluorescein
[no description available]		2.4520
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.		2.7730flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
gallocatechol
gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases. (+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.. gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii.		2.1710gallocatechinantioxidant;
metabolite;
radical scavenger
nile red
nile red : An organic heterotetracyclic compound that is 5H-benzo[a]phenoxazin-5-one substituted at position 9 by a diethylamino group.		2.1510aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound		fluorochrome;
histological dye
metaperiodate
Periodic Acid: A strong oxidizing agent.		2.0510iodine oxoacid
lissamine rhodamine b
lissamine rhodamine B: RN given refers to parent cpd; Lissamine Rhodamine B refers to Na salt		3.0440
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent. 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.		2.0110gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
tris(2,2'-bipyridine)ruthenium(II)
tris(2,2'-bipyridyl)ruthenium(II): a fluorescent dye; structure in first source		2.1110ruthenium coordination entityfluorochrome
glutathione disulfide
Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.		2.1710glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite
cephalosporin c
cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.		2.4720cephalosporinfungal metabolite
bergenin
bergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structure		210trihydroxybenzoic acidmetabolite
bisphenol b
[no description available]		2.0610bisphenol
4-methylaminobenzoic acid
[no description available]		2.0610aminobenzoic acid
violuric acid
violuric acid: an antihypoxic agent		5.23150
guaethol
[no description available]		2.0810aromatic ether;
phenols;
volatile organic compound		flavouring agent
3-(dimethylamino)benzoic acid
3-(dimethylamino)benzoic acid: RN given refers to parent cpd		1.9810
phenoxazine
phenoxazine: RN given refers to 10H-phenoxazine. 10H-phenoxazine : A member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6.		2.9740phenoxazineferroptosis inhibitor;
radical scavenger
1,7-phenanthroline
[no description available]		1.9410phenanthroline
alpha-carboline
alpha-carboline: RN given refers to unlabeled cpd; structure given in first source		1.9710pyridoindole
triazoles
Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.		5.345301,2,3-triazole
2,6-dimethoxy-1,4-benzoquinone
2,6-dimethoxy-1,4-benzoquinone: structure given in first source		2.4920
azure b
Azure B: RN given refers to chloride. azure B : An organic chloride salt having 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining and is an active metabolite of methylene blue.		2.6120
1,8-dihydroxynaphthalene
1,8-dihydroxynaphthalene: isolated from mutant of Wangiella dermatitidis; structure given in first source. naphthalene-1,8-diol : A member of the class of naphthalenediols that is naphthalene in which the hydrogens at positions 1 and 8 are replaced by hydroxy groups.		2.5420naphthalenediolfungal metabolite
2,3-dimethylhydroquinone
2,3-dimethylhydroquinone: structure in first source		2.1310
methyl syringate
methyl syringate : A benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol.		3.4470benzoate ester;
dimethoxybenzene;
phenols		plant metabolite
voriconazole
Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A.. voriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.		2.0310conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
procion reactive red 4
Procion Reactive Red 4: inhibits phosphotransferase activity of yeast hexokinase; RN given refers to parent cpd		2.1710
gentisamide
gentisamide: metabolite of salicylamides		2.0310
cresol red
[no description available]		2.13102,1-benzoxathiole;
arenesulfonate ester;
polyphenol;
sultone		acid-base indicator;
dye;
two-colour indicator
2,2'-dipicolylamine
2,2'-dipicolylamine: structure in first source		2.110
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.		2.1110cerium molecular entity;
metal oxide
1-hydroxybenzotriazole
1-hydroxybenzotriazole: RN given refers to parent cpd		5.13430benzotriazoles
methylene green
methylene green: stain; 4-nitro(methylene blue); RN given refers to chloride. methylene green : An organic chloride salt having 3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium as the counterion. It stains nuclei green and is sometimes used as a counterstain to red or purple primary stains.		2.0610organic chloride saltfluorochrome;
histological dye
2,5-furandicarboxylic acid
furan-2,5-dicarboxylic acid : A member of the class of furans carrying two carboxy substituents at positions 2 and 5.		2.6920dicarboxylic acid;
furans		human urinary metabolite
cobalt phthalocyanine
[no description available]		7.3110
1-pyrenebutyrate
1-pyrenebutyrate: fluorescent probe; RN given refers to 1-pyrenebutyrate		2.0810
n-hydroxynaphthalimide
N-hydroxynaphthalimide: structure in first source		2.0310
3,4-dihydroxyphenylethanol
3,4-dihydroxyphenylethanol: serotonin metabolite; structure		2.7220catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite
tebuconazole
Lynx: A genus in the family FELIDAE comprising felines with long legs, ear tufts, and a short tail.. 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol : A tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively.. tebuconazole : A racemate composed of equimolar amounts of (R)- and (S)-tebuconazole. A fungicide effective against various smut and bunt diseases in cereals and other field crops.		7.1510monochlorobenzenes;
tertiary alcohol;
triazoles
cyprodinil
cyprodinil: structure in first source. cyprodinil : A member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees.		7.0110aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
ritalinic acid
[no description available]		7.1710monocarboxylic acid;
piperidines		drug metabolite;
marine xenobiotic metabolite
4-(hydroxyphenyl)acetamide
4-(hydroxyphenyl)acetamide: structure given in first source; an impurity found in the HPLC assay for atenolol; do not confuse with acetaminophen		2.1710acetamides
procion brilliant red m-2bs
[no description available]		2.3110
acetyl methyl tetramethyl tetralin
acetyl methyl tetramethyl tetralin: musk fragrance; structure given in first source		2.0310tetralins
galaxolide
galaxolide: musk fragrance; structure given in first source. galaxolide : An organic heterotricyclic compound that is 1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene substituted by methyl groups at positions 4, 6, 6, 7, 8 and 8 respectively. It is a synthetic musk used as a fragrance in cosmetics.		2.0310isochromenes;
organic heterotricyclic compound		fragrance
cadmium telluride
cadmium telluride: used in radiation monitoring device		2.4920
acid violet 17
violet BNP: structure given in first source		2.0510
glycyl-l-phenylalanine
glycylphenylalanine: RN given refers to (DL)-isomer. Gly-Phe : A dipeptide formed from glycine and L-phenylalanine residues.		2.0510dipeptide zwitterion;
dipeptide		human metabolite;
metabolite
glycidyl nitrate
glycidyl nitrate: a nitric oxide donor; structure in first source. peptidoglycan : A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids.		2.0710
titanium nitride (tin)
titanium nitride: RN given refers to unspecified MF		2.0610
dithiobis(succinimidylpropionate)
dithiobis(succinimidylpropionate): used to study interactions of structural proteins; RN given refers to unlabeled cpd		2.0810
dehydroabietic acid
dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.		210abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
glucuronic acid
Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.		3.2650D-glucuronic acidalgal metabolite
glycyl-leucyl-tyrosine
glycyl-leucyl-tyrosine: structure given in first source		2.0310oligopeptide
endosulfan ether
[no description available]		2.0810
cellobionolactone
cellobionolactone: structure given in first source. cellobiono-1,5-lactone : A disaccharide consisting of D-glucono-1,5-lactone having a beta-D-glucosyl residue at the 4-position.		2.1710disaccharide
aurofusarin
aurofusarin: from Fusarium graminearum; structure given in first source		7.0210organic heterotricyclic compound;
organooxygen compound
n-acetyldopamine
N-acetyldopamine : A secondary carboxamide obtained by formal condensation of the carboxy group of acetic acid with the amino group of dopamine. A dopamine metabolite.		2.0310acetamides;
catechols;
N-(fatty acyl)-dopamine;
secondary carboxamide		human urinary metabolite;
marine metabolite
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.		8.3760cobalt group element atom;
metal allergen		micronutrient
hydrogen sulfite
[no description available]		2.8330sulfur oxoanionhuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
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		1.9810polyamino carboxylic acid;
tetracarboxylic acid		chelator
copper
cuprous ion: RN given refers to Cu(1+)		2.110copper cation;
monoatomic monocation		cofactor
1,4-dihydropyridine
[no description available]		7.2510
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).		2.4110
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.		4.5770proanthocyanidin
proanthocyanidin
proanthocyanidin: RN given refers to proanthocyanidin A; Cannabinoid Receptor CB1 antagonist. proanthocyanidin : A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans.		3.8730
ponceau mx
ponceau MX: RN given refers to parent cpd; structure. 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid : A naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying additional hydroxy and (2,4-dimethylphenyl)diazenyl substituents at positions 3 and 4 respectively. The disodium salt is the biological stain 'acid red 26'.		2.520azobenzenes;
naphthalenesulfonic acid;
naphthols		carcinogenic agent;
cardiotoxic agent
phenoxazinone
[no description available]		2.4720
dodecyl-beta-d-maltoside
dodecyl beta-D-maltoside : A glycoside resulting from attachment of a dodecyl group to the reducing-end anomeric centre of a beta-maltose molecule.		1.9910disaccharide derivative;
glycoside		detergent
cinnabarinic acid
cinnabarinic acid: structure		2.9340phenoxazine
chymosin
Chymosin: The predominant milk-clotting enzyme from the true stomach or abomasum of the suckling calf. It is secreted as an inactive precursor called prorennin and converted in the acid environment of the stomach to the active enzyme. EC 3.4.23.4.		2.0110
4'-hydroxydiclofenac
4'-hydroxydiclofenac: metabolite of diclofenac; structure in first source. 4'-hydroxydiclofenac : A monocarboxylic acid that is the 4'-hydroxylated metabolite of diclofenac.		2.0510dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
cucurbitacins
[no description available]		6.991011-oxo steroid
caprylates
Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.		2.9130fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite
penicillin x
penicillin X: RN given refers to (2S-(2alpha,5alpha,6beta))-isomer		1.9810penicillin
1-leucine-4-nitroanilide
1-leucine-4-nitroanilide: substrate for arylamidase; RN given refers to cpd without isomeric designation		2.0510
phenoxy radical
phenoxy radical : An organic radical generated from phenol.		3.0440organic radical
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).		2.4820nitrogen oxoacid
fullerene c60
Fullerenes: A polyhedral CARBON structure composed of around 60-80 carbon atoms in pentagon and hexagon configuration. They are named after Buckminster Fuller because of structural resemblance to geodesic domes. Fullerenes can be made in high temperature such as arc discharge in an inert atmosphere.. fullerene : A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms.		3.2650fullerenegeroprotector
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.		2.0310dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols		eukaryotic metabolite;
signalling molecule
bismark brown
Bismark Brown: RN given refers to parent cpd		2.0510
xylose
xylopyranose: structure in first source		3.3960D-xylose
quinone methide
quinone methide: intermediate in eumelanin biosynthesis; structure given in first source. quinomethane : A methylidenecyclohexadienone, formally derived from a benzoquinone by replacement of one of the quinone oxygens by a methylidene group.		6.9910quinomethane
beta-lactams
2-azetidinone: structure in first source. azetidin-2-one : An unsubstituted beta-lactam compound.. beta-lactam : A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.		2.4820beta-lactam antibiotic allergen;
beta-lactam
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.		2.4920amino 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
levofloxacin
Levofloxacin: The L-isomer of Ofloxacin.. levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase.		7.72209-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;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
1-methylcyclopropene
1-methylcyclopropene: do not confuse with 1-methylcyclopropane. 1-methylcyclopropene : A member of the class of cyclopropenes that is cyclopropene in which the hydrogen at position 1 has been replaced by a methyl group. A gas at room temperture and pressure, it is a (synthetic) ethylene perception inhibitor and is used to prolong the life of cut and potted flowers, other ornamental plants, and fruit.		7.1710cycloalkene;
cyclopropenes		agrochemical;
plant growth regulator
tellimagrandin ii
tellimagrandin II: isolated from Filipendula palmata; structure in first source		7.0110
copper bis(histidinate)
copper bis(histidinate): RN given refers to N,N(3),O(L)-isomer		2.0710
corollosporine
corollosporine: isolated from marine fungus Corollospora maritima; structure in first source		7.0410
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.		8.3560methoxynaphthalene;
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.		8.88110oxygen hydride;
oxygen radical;
reactive oxygen species
dialuminum magnesium tetraoxide
spinell: mineral that can be colored to match dentin		2.4110
singlet oxygen
Singlet Oxygen: An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages.		2.4110chalcogen;
monoatomic oxygen;
nonmetal atom		macronutrient
silver phosphate
silver phosphate: for chloride analysis in cystic fibrosis patch test		7.610
fenton's reagent
Fenton's reagent: used for oxidizing sugars & alcohols		8.1650
carbodiimides
Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted.		2.0210carbodiimide
isoflavanone
isoflavanone: structure given in first source; RN from CA Index Guide. isoflavanone : Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond.		2.0510isoflavanones
n(beta)-alanyldopamine
[no description available]		2.0310catechols;
primary amino compound;
secondary carboxamide
tartrazine
Tartrazine: An anionic, hydrophilic azo dye with an orange-yellow color used in fabrics, foods and cosmetics, and as a biological stain.. tartrazine : An organic sodium salt which is the trisodium salt of tartrazine acid. A synthetic lemon yellow azo dye used as a food colouring.		7.6320
cupric hydroxide
copper hydroxide: used as an antifungal agent		2.2110organic molecular entity
metaperiodate
metaperiodate: RN given refers to periodic acid, Na salt; structure. periodate : A monovalent inorganic anion obtained by deprotonation of periodic acid.		2.0510iodine oxoanion;
monovalent inorganic anion
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.		2.4110biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
agrobactin
agrobactin: iron transport compound (siderophore) from Agrobacterium tumefaciens; structure		1.9610
1-methyl-3-ethylimidazolium
1-methyl-3-ethylimidazolium: structure given in first source. 1-ethyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is ethyl.		2.08101-alkyl-3-methylimidazolium
lignin
Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.		12.446150
organophosphonates
hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.		2.0310divalent inorganic anion;
phosphite ion
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.		5.3140aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
1,4,7-triazacyclononane
1,4,7-triazacyclononane: structure given in first source		2.1110azacycloalkane;
crown amine;
saturated organic heteromonocyclic parent
esculentin steroid
esculentin steroid: do not confuse with esculentin (antimicrobial peptide)		2.0410
chlorite
[no description available]		2.1710chlorine oxoanion;
monovalent inorganic anion
fe(iii)-edta
Fe(III)-EDTA: iron fortifying agent; RN given refers to parent cpd		2.0510iron coordination entity
pimaric acid
pimaric acid: RN given refers to (D)-isomer; structure		210diterpenoid
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.		2.111012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
4-allyl-2,6-dimethoxyphenol
4-allyl-2,6-dimethoxyphenol: structure in first source. 4-allyl-2,6-dimethoxyphenol : A member of the class of phenols that is phenol substituted by an allyl group at position 4 and methoxy groups at positions 2 and 6 respectively.		1.9910dimethoxybenzene;
phenols;
phenylpropanoid
5-hydroxymethylfurfural
5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.		3.240arenecarbaldehyde;
furans;
primary alcohol		indicator;
Maillard reaction product
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		2.0610
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.		340
11-mercaptoundecanol
11-mercaptoundecanol: structure in first source		2.1510
rifamycin o
[no description available]		1.9610
3,4-dihydroxyphenylpropionic acid
3,4-dihydroxyphenylpropionic acid: metabolite of caffeic acid; RN given refers to parent cpd; structure. 3-(3,4-dihydroxyphenyl)propanoic acid : A monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. Also known as dihydrocaffeic acid, it is a metabolite of caffeic acid and exhibits antioxidant activity.		2.0110(dihydroxyphenyl)propanoic acidantioxidant;
human xenobiotic metabolite
curcuphenol
curcuphenol: from marine sponge Epipolasis sp.; inhibts H,K-ATPase; structure given in first source; RN given refers to (R)-isomer		7.0210
dihydropyridines
Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position.		7.2510
2,3-diaminophenazine
2,3-diaminophenazine: product form horseradish peroxidase catalyzed oxidation of o-phenylenediamine		2.0510
permanganate
[no description available]		1.9910manganese oxoacid
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.		2.0210
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.		2.4620
arabinose
[no description available]		2.5120L-arabinoseEscherichia coli metabolite;
mouse metabolite
hexacyanoferrate iii
hexacyanoferrate III: RN given refers to parent cpd		2.0410
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.		2.5120D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
elastin
[no description available]		7.610oligopeptide
carnosine
polaprezinc: stimulates bone growth		7.1310amino 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.		2.8330
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.		1.9810myo-inositol trisphosphatemouse metabolite
arginine ethyl ester
[no description available]		2.1110L-arginine ester
salicin
[no description available]		2.0110aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
casein hydrolysate
casein hydrolysate: an ingredient of trypticase soy broth; casitone is a tryptic digest of casein		2.0210
taxifolin
(+)-taxifolin : A taxifolin that has (2R,3R)-configuration.		2.1710taxifolinmetabolite
tartaric acid
tartaric acid: RN given refers to cpd with unspecified isomeric designation. D-tartaric acid : The D-enantiomer of tartaric acid.		7.9640tartaric acidEscherichia coli metabolite
arbutin
hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage.		2.4110beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
cellulase
Cellulase: An endocellulase with specificity for the hydrolysis of 1,4-beta-glucosidic linkages in CELLULOSE, lichenin, and cereal beta-glucans.. beta-cellotriose : A cellotriose with a beta-configuration at the anomeric position.		7.99800cellotriose
isopimaric acid
isopimaric acid: isolated from the bark of Illicium jadifengpi		210carbotricyclic compound;
diterpenoid;
monocarboxylic acid
genipin
[no description available]		2.8220iridoid monoterpenoidanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cross-linking reagent;
hepatotoxic agent;
uncoupling protein inhibitor
tremulacin
tremulacin: extracted from Folia Populus tomentosa Carr; structure given in first source		2.0110glycoside
lignans
Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)		3.5680
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.		2.1310cyclodextrin
e-z cinnamic acid
cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid		2.5920cinnamic acidplant metabolite
ergosterol
[no description available]		3.19503beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		fungal metabolite;
Saccharomyces cerevisiae metabolite
farnesol
Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). (2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol.. farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1.		2.1710farnesolplant metabolite
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration.		3.1650resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
oleic acid
Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.		2.4720octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.		6.28440ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
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.		5.63200D-galactopyranuronic acid
diethylstilbestrol
Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.		7.4110olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
iridoids
Iridoids: A type of MONOTERPENES, derived from geraniol. They have the general form of cyclopentanopyran, but in some cases, one of the rings is broken as in the case of secoiridoid. They are different from the similarly named iridals (TRITERPENES).		2.3110
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
benzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor. N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative.		2.0210amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor
streptothricins
Streptothricins: A group of antibiotic aminoglycosides differing only in the number of repeating residues in the peptide side chain. They are produced by Streptomyces and Actinomyces and may have broad spectrum antimicrobial and some antiviral properties.. streptothricin : An N-glycosyl compound consisting of 2-amino-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]-beta-D-gulopyranosylamine in which the amino group at position 2 of the gulopyranosyl moiety is acylated by a peptide unit made up of between 1 and 7 N(epsilon)-linked units of beta-lysine.		2.9310
riboflavin
vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms).		7.1710flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
cinnamaldehyde
3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.		2103-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
trans-4-coumaric acid
hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.		3.941204-coumaric acidfood component;
mouse metabolite;
plant metabolite
glycosides
[no description available]		2.9840
sinapinic acid
sinapinic acid: a matrix for matrix-assisted laser desorption technique for protein MW determination; a constituent of propolis. trans-sinapic acid : A sinapic acid in which the double bond has trans-configuration.		3.77100sinapic acidMALDI matrix material;
plant metabolite
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)		2.0110isomethyleugenol
squalene
Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate		2.4110triterpenehuman 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.		3.4470stilbene
coumestan
coumestan: structure in first source. coumestan : A member of the class of coumestans that is 6H-[1]benzofuro[3,2-c]chromene substituted by an oxo group at position 6.		7.1510coumestans;
delta-lactone		phytoestrogen;
plant metabolite
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)		3.0140flavin adenine dinucleotide;
vitamin B2		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group
cannabidiol
Cannabidiol: Compound isolated from Cannabis sativa extract.. cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4.		7.3110olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
pyrophosphate
Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.		2.7430diphosphate ion
isopropyl thiogalactoside
Isopropyl Thiogalactoside: A non-metabolizable galactose analog that induces expression of the LAC OPERON.. isopropyl beta-D-thiogalactopyranoside : An S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur.		2.0810S-glycosyl compound
sesquiterpenes
[no description available]		4.5840
phenylthiourea
Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.. N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing.		2.0610thioureasEC 1.14.18.1 (tyrosinase) inhibitor
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid.		3.4670caffeic acidgeroprotector;
mouse metabolite
methyl caffeate
methyl caffeate: from plant Gaillardia pulchella. methyl caffeate : An alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol.		2.2510alkyl caffeate ester;
methyl ester
3-(3,4-dimethoxyphenyl)propenoic acid
3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd. 3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.		210methoxycinnamic acid
ethyl ferulate
ethyl ferulate: structure in first source		2.520
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.		7.5820aromatic 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
nootkatone
nootkatone: RN given refers to cpd without isomeric designation; structure given in first source. (+)-nootkatone : A sesquiterpenoid that is 4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one which is substituted by methyl groups at positions 4 and 4a, and by an isopropenyl group at position 6 (the 4R,4aS,6R stereoisomer).		8.6420carbobicyclic compound;
enone;
sesquiterpenoid		fragrance;
insect repellent;
plant metabolite
coniferyl alcohol
coniferyl alcohol: structure. coniferol : A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring.		8.5180guaiacols;
phenylpropanoid		animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component
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.		3.0540cinnamate ester;
tannin		food component;
plant metabolite
thiosemicarbazide
thiosemicarbazide: glutamate decarboxylase antagonist; structure given in first source. hydrazinecarbothioamide : A member of the class of thioureas that is thiourea in which a hydrogen of one of the amino groups is replaced by an amino group.		2.7620hydrazines;
thiocarboxamide;
thioureas
indigo carmine
Indigo Carmine: Indolesulfonic acid used as a dye in renal function testing for the detection of nitrates and chlorates, and in the testing of milk.. indigo carmine : An organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow.		4.61240
D-fructopyranose
[no description available]		3.3260cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
tempo
TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively.		5.75240aminoxyls;
piperidines		catalyst;
ferroptosis inhibitor;
radical scavenger
ferric ferrocyanide
ferric ferrocyanide: antidote to thallium poisoning; RN given refers to Fe(+3)[3:4] salt; structure		2.5420
aflatoxin b
aflatoxin B2: RN given refers to cpd without isomeric designation. aflatoxin B2 : An aflatoxin having a hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.		2.2510aflatoxin
aflatoxin g2
[no description available]		2.2510coumarins
acid orange 6
Acid Orange 6: structure in first source		2.1710
fumonisin b1
fumonisin B1: isolated from Fusarium moniliforme MRC 826; structure given in first source; has cancer-promoting activity; inhibits ceramide synthase. fumonisin B1 : A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol.		7.610diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite
1-butyl-3-methylimidazolium chloride
1-butyl-3-methylimidazolium chloride: structure in first source		2.0610
1-butyl-3-methylimidazolium hexafluorophosphate
1-butyl-3-methylimidazolium hexafluorophosphate: structure in first source		2.7430
buclizine
1-octyl-3-methylimidazolium: structure in first source. 3-methyl-1-octylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is octyl.		2.06101-alkyl-3-methylimidazolium
1-butyl-3-methylimidazolium trifluoromethanesulfonate
1-butyl-3-methylimidazolium trifluoromethanesulfonate: structure in first source		2.0810
nadp
[no description available]		1.9610
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)		2.4720
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.		1.9810alkali metal atom
quinine
[no description available]		2.0210cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
kaurenoic acid
kaurenoic acid: isolated from leaves of Montanoa tomentosa; structure given in first source. ent-kaur-16-en-19-oic acid : An ent-kaurane diterpenoid that is ent-kauran-19-oic acid in which a double bond is present at position 16(17); exhibits anticancer and anti-HIV 1 activity.		2.0210
cystine
[no description available]		2.0810
5-hydroxydiclofenac
5-hydroxydiclofenac: structure in first source. 5-hydroxydiclofenac : A monocarboxylic acid that is the 5-hydroxylated metabolite of diclofenac.		2.0510dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
4-azidophenylalanine
4-azidophenylalanine: RN given refers to (L)-isomer. 4-azido-L-phenylalanine : A 4-azidophenylalanine that has L-configuration. It is used as a bioorthogonal click-chemistry reagent.. 4-azidophenylalanine : A phenylalanine derivative that is phenylalanine substituted by an azido group at position 4.		2.1110
cytellin
cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982		2.0310
ovalbumin
Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.		2.3110
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.		3.6490organic sodium saltdetergent;
protein denaturant
crocin
crocin: a free radical scavenger		7.5520
galactomannan
galactomannan: a galectin inhibitor. galactomannan : A heteroglycan consisting of a mannan backbone with galactose side groups.		4.4960oligosaccharide
16-mercaptohexadecanoic acid
[no description available]		2.1510
dimethyldithiocarbamate
Dimethyldithiocarbamate: A chemical that acts as a dopamine beta-hydroxylase inhibitor. Its salts are agricultural fungicides. It is inferior to diethyldithiocarbamate as a chelating agent.. dimethyldithiocarbamate : A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dimethyldithiocarbamic acid. The major species at pH 7.3.		2.0110dithiocarbamate anions
metanil yellow
metanil yellow: RN given refers to parent cpd; structure. metanil yellow : An organic sodium salt having 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate as the counterion. Used in one variant of Masson's trichrome to stain collagen yellow in contrast to the red muscle, but is not in common used.		2.6620organic sodium salthistological dye
alpha-chymotrypsin
Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.		8.5380
naphthoquinones
Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups.		7.8130
sodium borohydride
sodium borohydride: RN given refers to parent cpd		2.0710inorganic sodium salt;
metal tetrahydridoborate
quercetin
[no description available]		3.52707-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]		3.0140biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
sinapine
sinapine: black mustard seeds, seeds of Brassica nigra; RN given refers to parent; structure. sinapine : An acylcholine in which the acyl group specified is sinapoyl.		2.5220acylcholineantioxidant;
photosynthetic electron-transport chain inhibitor;
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.		2.0510trihydroxyflavoneantineoplastic agent;
metabolite
luteolin
[no description available]		7.05103'-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.		1.9910octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
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.		2.9330carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
sinapyl alcohol
sinapyl alcohol: has anti-inflammatory and antinociceptive properties; structure in first source. trans-sinapyl alcohol : Sinapyl alcohol in which the configuration of the propenyl double bond is E. It is one of the main monolignols.. sinapyl alcohol : A primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5.		2.5120sinapyl alcoholmonolignol
coniferaldehyde
coniferaldehyde: from aqueous extract of Senra incana. coniferyl aldehyde : A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3.		2.0510cinnamaldehydes;
guaiacols;
phenylpropanoid		antifungal agent;
plant metabolite
sinapaldehyde
sinapyl aldehyde: structure in first source. (E)-sinapaldehyde : A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.		2.0510cinnamaldehydes;
dimethoxybenzene;
phenols		antifungal agent;
plant metabolite
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.		3.7190disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
kaempferol
[no description available]		2.03107-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
alpha-linolenic acid
linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.. linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.		210linolenic acid;
omega-3 fatty acid		micronutrient;
mouse metabolite;
nutraceutical
genistein
[no description available]		2.42207-hydroxyisoflavonesantineoplastic 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.		2.1110antibiotic 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.		7.1710oxo monocarboxylic acidjasmonates;
plant metabolite
norbixin
norbixin: an annatto compound; RN given refers to all-trans-norbixin (beta-norbixin); 9-cis-norbixin is alpha-norbixin		2.1510diterpenoid
7-hydroxycoumarin
7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.		2.0410hydroxycoumarinfluorescent probe;
food component;
plant metabolite
alpha-farnesene
alpha-farnesene: structure given in first source. alpha-farnesene : A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively.. farnesene : A sesquiterpene that is any of the four possible isomers of 3,7,11-trimethyl-1,3,6,10-dodecatetraene (alpha-farnesene) or of the two possible isomers of 7,11-dimethyl-3-methylene-1,6,10-dodecatriene.		2.4110alpha-farnesene
humulene
humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene.		3.2350alpha-humulene
zearalenone
Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes.. zearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species.		2.3110macrolide;
resorcinols		fungal metabolite;
mycoestrogen
myricetin
[no description available]		2.13107-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
rosmarinic acid
rosmarinic acid: RN given refers to parent cpd; promote OT project. (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid.		7.4120rosmarinic acidgeroprotector;
plant metabolite
ellagic acid
[no description available]		7.4110catechols;
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
ginkgolic acid
[no description available]		7.2510hydroxybenzoic acid
1-monooleoyl-rac-glycerol
Peceol: lipid excipient containing readily dispersible mixture of mono- & diglycerides of oleic acid. 1-oleoylglycerol : A 1-monoglyceride where the acyl group is oleoyl.. monooleoylglycerol : A monoglyceride in which the acyl group is oleoyl with the position of acylation unspecified.		2.42201-acylglycerol 18:1;
monooleoylglycerol		plant metabolite
methyl linoleate
[no description available]		2.0110fatty acid methyl esterplant 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.		7.1710morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
isorhapontigenin
isorhapontigenin: isolated from the seeds of Aiphanes aculeata Willd. (Arecaceae); structure in first source		2.110stilbenoid
methyl-p-coumarate
methyl-p-coumarate: structure in first source. 4-coumaric acid methyl ester : A cinnamate ester that is the methyl ester of 4-coumaric acid.		2.25104-coumaric acid methyl ester
trilinolein
trilinolein: RN given refers to (Z,Z)-isomer. 1,2,3-trilinoleoylglycerol : A triglyceride formed by acylation of the three hydroxy groups of glycerol with linoleic acid.		7.01101,2-diacyl-3-linoleoylglycerol;
1,3-diacyl-2-linoleoylglycerol;
linoleoyl containing 1,2,3-triacyl-sn-glycerol;
TG(18:2/18:2/18:2);
triglyceride		mouse metabolite
lead
Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.		2.520carbon group element atom;
elemental lead;
metal atom		neurotoxin
methyl ferulate
methyl ferulate: inhibits LDL oxidation; isolated from Chrysanthemum coronarium; structure in first source. trans-methylferulate : A cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata.		2.2510cinnamate ester;
guaiacols;
methyl ester		plant metabolite
aluminum
Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.		7.110boron 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)		2.610metalloid 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.		3.1650chalcogen;
nonmetal atom		macronutrient
xantocillin
xantocillin: structure in first source		2.3110
rifamycin b
[no description available]		1.9610acetate ester;
carboxylic acid;
organic heterotetracyclic compound;
rifamycins
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate
2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid: metabolic product of biphenyl; from Pseudomonas putida; RN given refers to cpd without isomeric designation; structure. 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid : Penta-2,4-dienoic acid in which the hydrogen at position 2 is substituted by hydroxy and one of the hydrogens at position 5 is substituted by a benzoyl group. It is a metabolic product of biphenyl from Pseudomonas putida.		7.110
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.		8.1250cysteiniumfundamental metabolite
silicon
Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086].		7.7430carbon group element atom;
metalloid atom;
nonmetal atom
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.		3.0430monoatomic phosphorus;
nonmetal atom;
pnictogen		macronutrient
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source		6.411530
abscisic acid
Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold.		2.31102-trans-abscisic acid
2',3,4-trihydroxychalcone
2',3,4-trihydroxychalcone: structure given in first source		7.2110catechols;
chalcones
3-methyl-2-benzothiazolone hydrazone
3-methyl-2-benzothiazolone hydrazone: RN given refers to parent cpd		1.9810
cinidon-ethyl
Lotus: A genus of the PEA FAMILY. The genus Lotus, formerly known as Tetragonolobus, is unrelated to other plants with the common name of lotus (NELUMBO and NYMPHAEA).. cinidon ethyl : A carboxylic ester and organochlorine compound that is the ethyl ester of cinidon.		2.0710ethyl ester;
isoindoles;
monochlorobenzenes		herbicide
ammonium sulfate
Ammonium Sulfate: Sulfuric acid diammonium salt. It is used in CHEMICAL FRACTIONATION of proteins.. ammonium sulfate : An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils.		2.7930ammonium salt;
inorganic sulfate salt		fertilizer
coomassie brilliant blue
[no description available]		2.5220
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.		7.4820chalcogen;
nonmetal atom		micronutrient
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.		2.4920chalcogen;
metalloid atom
oxalates
Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure.		2.4420
clinoptilolite
clinoptilolite: clinoptilolite was SY to zeolite (NM); use zeolites (NM) to search through 1993; RN is for cpd with unknown MF		7.1110
guaiacylglycerol-beta-guaiacyl ether
guaiacylglycerol-beta-guaiacyl ether: structure given in first source. guaiacylglycerol-beta-guaiacyl ether : A glycerol ether in which guaiacyl and guaiacylglycerol subunits are joined by an arylglycerol-beta-aryl (beta-O-4) linkage.		2.7730glycerol ether
hygromycin a
hygromycin A: a cinnamide derivative produced by Streptomyces hygroscopicus; structure differs from HYGROMYCIN B		2.0210hydroxycinnamic acidmetabolite
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.		210cyclic 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
1,2-dehydro-n-acetyldopamine
1,2-dehydro-N-acetyldopamine: structure given in first source		2.0510
bifenthrin
bifenthrin: a type I pyrethroid. bifenthrin : A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol.. kappa-bifenthrin : A carboxylic ester obtained by formal condensation of the carboxy group of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of [(2-methyl-1,1'-biphenyl)-3-yl]methanol.		7.1510carboxylic ester;
cyclopropanecarboxylate ester;
cyclopropanes;
organochlorine compound;
organofluorine compound		pyrethroid ester acaricide;
pyrethroid ester insecticide
cellobionic acid
cellobionic acid: RN given refers to (beta-D-glucopyranosyl cpd). cellobionic acid : A disaccharide consisting beta-D-glucosyl and D-gluconic acid residues joined by a (1->4)-linkage.		2.5320carbohydrate acid;
disaccharide		metabolite
beta-escin
[no description available]		2.7930
melibiose
alpha-D-Galp-(1->6)-alpha-D-Glcp : A glycosylglucose consisting of alpha-D-galactopyranose and alpha-D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond.		2.0410glycosylglucose
carboxyl radical
[no description available]		2.0610carbon oxide;
organic radical anion		xenobiotic metabolite
staurosporine
staurosporinium : Conjugate acid of staurosporine.		2.0210ammonium ion derivative
aldicarb
Aldicarb: Carbamate derivative used as an insecticide, acaricide, and nematocide.. aldicarb : The oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active.		2.1510
gemifloxacin
Gemifloxacin: A naphthyridine and fluoroquinolone derivative antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used for the treatment of community-acquired pneumonia and acute bacterial infections associated with chronic bronchitis.. gemifloxacin : A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position.		7.41101,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
ferrihydrite
ferric oxyhydroxide: an antiferromagnetic material; constitutes the core of natural ferritin; mol form 5Fe2O3.9H2O		2.4110
valencene
valencene: structure in first source. (+)-valencene : A carbobicyclic compound and sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted a prop-1-en-2-yl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aS,5R- diastereoisomer).		8.6420carbobicyclic compound;
polycyclic olefin;
sesquiterpene
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).		7.88740aminopyrimidine;
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
zeolites
[no description available]		3.6370
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.		3.76100
ucn 1028 c
calphostin C: structure given in first source; isolated from Cladosporium cladosporioides		2.0210
quininone
quininone: RN given refers to cpd without isomeric designation; converted from quinidine by resting cells of Hansenula anomala		2.0210
ribose
ribopyranose : The pyranose form of ribose.		7.0510D-ribose;
ribopyranose
decabromodiphenyl ethane
decabromodiphenyl ethane: structure in first source		2.4110
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.		2.0310alpha-D-glucosyl-(1->4)-D-mannopyranose
procyanidin b1
procyanidin B1 : A proanthocyanidin consisting of (-)-epicatechin and (+)-catechin units joined by a bond between positions 4 and 8' respectively in a beta-configuration.. Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon, in the rind, bark or cortex), in Uncaria guianensis (cat's claw, in the root), and in Vitis vinifera (common grape vine, in the leaf) or in peach.		2.1310biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite
aspalathin
aspalathin: structure in first source. aspalathin : A member of the class of dihydrochalcones that is the 2-C-beta-D-glucopyranide of phloroglucinol and which is substituted at position 4 by a 3-(3,4-dihydroxyphenyl)propanoyl group. A metabolite of red bush, Aspalathus linearis (and present in the herbal tea made from the leaves), aspalathin exhibits significant hypoglycemic activity.		2.0410C-glycosyl compound;
catechols;
dihydrochalcones;
polyketide;
polyphenol		antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
hypoglycemic agent;
plant metabolite
chlorophyll b
[no description available]		2.1710chlorophyllcofactor
phytic acid
inositol pentaphosphate: RN given refers to cpd without isomeric designation		2.1310inositol phosphate
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.		2.9430
indocyanine green
Indocyanine Green: A tricarbocyanine dye that is used diagnostically in liver function tests and to determine blood volume and cardiac output.		2.07101,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
vindoline
[no description available]		1.9610
rifamycins
[no description available]		1.9610
acid phosphatase
Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2.		3.1950
ants
Ants: Insects of the family Formicidae, very common and widespread, probably the most successful of all the insect groups. All ants are social insects, and most colonies contain three castes, queens, males, and workers. Their habits are often very elaborate and a great many studies have been made of ant behavior. Ants produce a number of secretions that function in offense, defense, and communication. (From Borror, et al., An Introduction to the Study of Insects, 4th ed, p676)		7.5320
aflatoxin g1
aflatoxin G1: RN given refers to (7aR-cis)-isomer & is from 9th CI Form Index		2.2510
aflatoxin m1
Aflatoxin M1: A 4-hydroxylated metabolite of AFLATOXIN B1, one of the MYCOTOXINS from ASPERGILLUS tainted food. It is associated with LIVER damage and cancer resulting from its P450 activation to the epoxide which alkylates DNA. Toxicity depends on the balance of liver enzymes that activate it (CYTOCHROME P-450) and others that detoxify it (GLUTATHIONE S TRANSFERASE) (Pharmac Ther 50.443 1991). Primates & rat are sensitive while mouse and hamster are tolerant (Canc Res 29.236 1969).. aflatoxin M1 : A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at position 9a is replaced by a hydroxy group.		2.5420aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.		8.1650organophosphate oxoanioncofactor;
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.		3.1850
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.		10.65130
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.		8.911220glycoside
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.		2.5320chlorophyll;
methyl ester		cofactor
pinoresinol
pinoresinol: in plants; a furo[3,4-c]furan created from dimer of coniferyl alcohol. pinoresinol : A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl groups.		2.7330
chitosan
[no description available]		7.93720
sodium hypochlorite
Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach.		2.1710inorganic sodium saltbleaching agent;
disinfectant
methyl orange
methyl orange: indictor of pH with strong acids & bases; also used as reagent to form ion pairs with, and thereby isolate, certain compounds from biological material; minor descriptor (75-86); on-line & INDEX MEDICUS search AZO COMPOUNDS (75-86); file maintained to Azo cpds		3.79100
docusate sodium
[no description available]		2.4620organic sodium salt
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.		2.0310monosodium glutamateflavouring agent
nuclear fast red
nuclear fast red: structure in first source; do not confuse with nuclear fast red (basic dye). nuclear fast red : An organic sodium salt that is the monosodium salt of 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. It forms bright red lakes with calcium and is a useful red nuclear staining lake with aluminum.		7.0610organic sodium saltfluorochrome;
histological dye
hygromycin b
[no description available]		2.4220
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)		7.110
aniline blue
aniline blue: fluorochrom widely used by botanists		2.8330
mannans
[no description available]		5.17130
dalesconol a
dalesconol A: from a culture of Daldinia eschsholzii IFB-TL01 residing inside the gut of the mantis species Tenodora aridifolia; structure in first source		2.1110
dalesconol b
dalesconol B: from a culture of Daldinia eschsholzii IFB-TL01 residing inside the gut of the mantis species Tenodora aridifolia; structure in first source		2.1110
salicortin
salicortin: an aryl glucoside from most species of Salix and Populus; structure in first source		2.0110glycoside
peptones
Peptones: Derived proteins or mixtures of cleavage products produced by the partial hydrolysis of a native protein either by an acid or by an enzyme. Peptones are readily soluble in water, and are not precipitable by heat, by alkalis, or by saturation with ammonium sulfate. (Dorland, 28th ed)		3.1750
urushiol
[no description available]		2.4820
glycolipids
[no description available]		3.5170
piperidines
Piperidines: A family of hexahydropyridines.		2.0510
ptilomycalin a
ptilomycalin A: a polycyclic guanidine alkaloid from the marine sponge Ptilocaulis spiculifer; structure in first source		7.0610
heme
Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron.		9.6180
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.		10.04130ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
tetracycline
Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.		4.04120
oxytetracycline, anhydrous
Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.. oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.		3.3550
isoascorbic acid
isoascorbic acid: food antioxidant; (L)-isomer is ascorbic acid; RN given refers to (D)-isomer; structure		1.9910ascorbic 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.		2.2510monohydroxybenzoateplant metabolite
dicumarol
Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.		2.2110hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
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.		3.250benzenes;
hydroxycoumarin;
methyl ketone
tigecycline
[no description available]		2.610
kaolinite
Kaolin: The most common mineral of a group of hydrated aluminum silicates, approximately H2Al2Si2O8-H2O. It is prepared for pharmaceutical and medicinal purposes by levigating with water to remove sand, etc. (From Merck Index, 11th ed) The name is derived from Kao-ling (Chinese: high ridge), the original site. (From Grant & Hackh's Chemical Dictionary, 5th ed). kaolin : An aluminosilicate soft white mineral named after the hill in China (Kao-ling) from which it was mined for centuries. In its natural state kaolin is a white, soft powder consisting principally of the mineral kaolinite, and varying amounts of other minerals such as muscovite, quartz, feldspar, and anatase. It is used in the manufacture of china and porcelain and also widely used in the production of paper, rubber, paint, drying agents, and many other products.		2.4920aluminosilicate mineral;
mixture		antidiarrhoeal drug;
excipient
clay
Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter.		3.96110
pyrethrins
[no description available]		2.5720
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.		3.3460
phleomycin d1
phleomycin D1 : A glycopeptide originally isolated from the bacterium Streptomyces verticillus which contains a (4'R)-4',5'-dihydro-2,4'-bi-1,3-thiazole-2',4-diyl moiety with a a 4-guanidylbutylaminocarbonyl group attached to the 4-position of the terminal thiazole ring. Like all phleomycins, phleomycin D1 can form complexes with redox-active metals such as Co, Cu, and Fe.		2.1110bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite
reactive blue 21
reactive blue 21: structure in first source		7.5320
alcohol oxidase
[no description available]		3.3160
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.		2.9840
thearubigin
thearubigin: from black tea leaves; a catechin oxidized product; a mixture of heterogenous polyphenols		2.1110
ellagitannin
ellagitannin: structure; precoxin A/ praecoxin A is a purified ellagitannin. ellagitannin : A form of hydrolysable tannin produced from ellagic acid. Ellagitannins are glucosides which are readily hydrolysed by water to regenerate ellagic acid when the plants are eaten.		7.0110
illite
[no description available]		7.3110
phthalocyanine
phthalocyanine : A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.		8.0340phthalocyanines;
tetrapyrrole fundamental parent
nitrophenols
Nitrophenols: PHENOLS carrying nitro group substituents.		2.830
diospyros
Diospyros: A plant genus of the family EBENACEAE, order Ebenales, subclass Dilleniidae, class Magnoliopsida best known for the edible fruit and the antibacterial activity and compounds of the wood.		7.5720
hexenuronic acid
[no description available]		7.7630
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).		2.6830
flavin mononucleotide
Flavin Mononucleotide: A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues.		2.3820
orabase
Orabase: used in therapy of oral mucosal ulcers		2.8230
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.		4.6270
chondroitin sulfates
Chondroitin Sulfates: Derivatives of chondroitin which have a sulfate moiety esterified to the galactosamine moiety of chondroitin. Chondroitin sulfate A, or chondroitin 4-sulfate, and chondroitin sulfate C, or chondroitin 6-sulfate, have the sulfate esterified in the 4- and 6-positions, respectively. Chondroitin sulfate B (beta heparin; DERMATAN SULFATE) is a misnomer and this compound is not a true chondroitin sulfate.		2.3110
perlite
Perlite: siliceous volcanic rock composed of silicon dioxide & aluminum oxide		7.7430
guanosine
ribonucleoside : Any nucleoside where the sugar component is D-ribose.		7.610guanosines;
purines D-ribonucleoside		fundamental metabolite
pheophytin a
pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S*,11S*),4beta,21beta))-isomer		2.9630
syringaldazine
syringaldazine: used for detection of laccase in sporophores of wood rotting fungi; structure		5.01380
amido black
Amido Black: A dye used to stain proteins in electrophoretic techniques. It is used interchangeably with its acid form.. Amido Black 10B (acid form) : A bis(azo) compound that is naphthalene-2,7-disulfonic acid in which the hydrogens at positions 3, 4, 5, and 6 are replaced by (p-nitrophenyl)azo, amino, hydroxy, and phenylazo groups, respectively. A biological stain, it can be used interchangeably with its disodium salt, Amido Black 10B.		2.0610
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).		8.3260
2-naphthol orange
2-naphthol orange: structure; see also record for C.I. Solvent Orange 2		5.11120
alizarine yellow g
alizarine yellow G: binds bovine serum albumin; RN given refers to Na salt; structure given in first source		2.1510
remazol black b
Remazol black B: RN given refers to the tetrasodium salt. remazole black-GR : A bis(azo) compound with two aryldiazenyl moieties placed at positions 2 and 7 of a multi-substituted naphthalene.		4.33180
procion green h-e4bd
[no description available]		2.0810
eye
[no description available]		2.4120
acetylcellulose
acetylcellulose: coating compound. cellulose acetate : A glucan derivative obtained through the esterification of cellulose by acetic anhydride or acetic acid, resulting in the substitution of some of the hydroxy groups of cellulose by acetyl groups. It is used in a variety of applications including base material for photographic film, clothing, membrane filters, coatings, food packaging, and as a frame material for eyeglasses.		2.0610
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.		7.9440
vermiculite
[no description available]		2.0610
phenanthrenes
Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.		4.35180
ConditionIndicatedRelationship StrengthStudiesTrials
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.		03.4960
Adrenal Cancer
[description not available]		02.4110
Pheochromocytoma, Extra-Adrenal
[description not available]		02.4110
Pheochromocytoma
A usually benign, well-encapsulated, lobular, vascular tumor of chromaffin tissue of the ADRENAL MEDULLA or sympathetic paraganglia. The cardinal symptom, reflecting the increased secretion of EPINEPHRINE and NOREPINEPHRINE, is HYPERTENSION, which may be persistent or intermittent. During severe attacks, there may be HEADACHE; SWEATING, palpitation, apprehension, TREMOR; PALLOR or FLUSHING of the face, NAUSEA and VOMITING, pain in the CHEST and ABDOMEN, and paresthesias of the extremities. The incidence of malignancy is as low as 5% but the pathologic distinction between benign and malignant pheochromocytomas is not clear. (Dorland, 27th ed; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1298)		07.4110
Allergic Reaction
[description not available]		02.4110
Hypersensitivity
Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.		02.4110
Aspergillus Infection
[description not available]		02.7530
Eye Infections, Fungal
Infection by a variety of fungi, usually through four possible mechanisms: superficial infection producing conjunctivitis, keratitis, or lacrimal obstruction; extension of infection from neighboring structures - skin, paranasal sinuses, nasopharynx; direct introduction during surgery or accidental penetrating trauma; or via the blood or lymphatic routes in patients with underlying mycoses.		02.4110
Aspergillosis
Infections with fungi of the genus ASPERGILLUS.		02.7530
Keratitis
Inflammation of the cornea.		07.4110
Benign Neoplasms
[description not available]		03.0240
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.		03.0240
Polyarthritis
[description not available]		03.5210
Bowel Diseases, Inflammatory
[description not available]		03.5210
Arthritis
Acute or chronic inflammation of JOINTS.		03.5210
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.		03.5210
Disseminated Fusariosis
[description not available]		02.610
Fusariosis
OPPORTUNISTIC INFECTIONS with the soil fungus FUSARIUM. Typically the infection is limited to the nail plate (ONYCHOMYCOSIS). The infection can however become systemic especially in an IMMUNOCOMPROMISED HOST (e.g., NEUTROPENIA) and results in cutaneous and subcutaneous lesions, fever, KERATITIS, and pulmonary infections.		02.610
Pregnancy
The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.		02.5520
Breast Cancer
[description not available]		07.2110
Breast Neoplasms
Tumors or cancer of the human BREAST.		02.2110
Schistosoma mansoni Infection
[description not available]		02.2110
Schistosomiasis mansoni
Schistosomiasis caused by Schistosoma mansoni. It is endemic in Africa, the Middle East, South America, and the Caribbean and affects mainly the bowel, spleen, and liver.		02.2110
C gattii Infection
[description not available]		06.58260
Cryptococcosis
Fungal infection caused by genus CRYPTOCOCCUS.		06.58260
Infections, Vibrio
[description not available]		02.2510
DNA Virus Infections
Diseases caused by DNA VIRUSES.		02.2510
Bacterial Disease
[description not available]		03.7530
Bacterial Infections
Infections by bacteria, general or unspecified.		03.7530
Body Weight
The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.		02.4120
Anoxemia
[description not available]		02.2510
Alloxan Diabetes
[description not available]		02.2510
Hypoxia
Sub-optimal OXYGEN levels in the ambient air of living organisms.		02.2510
Grippe
[description not available]		02.3110
Influenza, Human
An acute viral infection in humans involving the respiratory tract. It is marked by inflammation of the NASAL MUCOSA; the PHARYNX; and conjunctiva, and by headache and severe, often generalized, myalgia.		02.3110
Neuroblastoma
A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)		07.3110
Apnea, Obstructive Sleep
[description not available]		02.3110
Apnea, Central
[description not available]		02.3110
Corneal Diseases
Diseases of the cornea.		02.3110
Sleep Apnea, Obstructive
A disorder characterized by recurrent apneas during sleep despite persistent respiratory efforts. It is due to upper airway obstruction. The respiratory pauses may induce HYPERCAPNIA or HYPOXIA. Cardiac arrhythmias and elevation of systemic and pulmonary arterial pressures may occur. Frequent partial arousals occur throughout sleep, resulting in relative SLEEP DEPRIVATION and daytime tiredness. Associated conditions include OBESITY; ACROMEGALY; MYXEDEMA; micrognathia; MYOTONIC DYSTROPHY; adenotonsilar dystrophy; and NEUROMUSCULAR DISEASES. (From Adams et al., Principles of Neurology, 6th ed, p395)		02.3110
Sleep Apnea, Central
A condition associated with multiple episodes of sleep apnea which are distinguished from obstructive sleep apnea (SLEEP APNEA, OBSTRUCTIVE) by the complete cessation of efforts to breathe. This disorder is associated with dysfunction of central nervous system centers that regulate respiration.		02.3110
Diathesis
[description not available]		02.0810
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)		04.63260
Cerebral Cryptococcosis
[description not available]		03.8321
AIDS-Related Opportunistic Infections
Opportunistic infections found in patients who test positive for human immunodeficiency virus (HIV). The most common include PNEUMOCYSTIS PNEUMONIA, Kaposi's sarcoma, cryptosporidiosis, herpes simplex, toxoplasmosis, cryptococcosis, and infections with Mycobacterium avium complex, Microsporidium, and Cytomegalovirus.		04.1131
Meningitis, Cryptococcal
Meningeal inflammation produced by CRYPTOCOCCUS NEOFORMANS, an encapsulated yeast that tends to infect individuals with ACQUIRED IMMUNODEFICIENCY SYNDROME and other immunocompromised states. The organism enters the body through the respiratory tract, but symptomatic infections are usually limited to the lungs and nervous system. The organism may also produce parenchymal brain lesions (torulomas). Clinically, the course is subacute and may feature HEADACHE; NAUSEA; PHOTOPHOBIA; focal neurologic deficits; SEIZURES; cranial neuropathies; and HYDROCEPHALUS. (From Adams et al., Principles of Neurology, 6th ed, pp721-2)		03.8321
Arthritis, Juvenile Chronic
[description not available]		02.5220
Arthritis, Juvenile
Arthritis in children, with onset before 16 years of age. The terms juvenile rheumatoid arthritis (JRA) and juvenile idiopathic arthritis (JIA) refer to classification systems for chronic arthritis in children. Only one subtype of juvenile arthritis (polyarticular-onset, rheumatoid factor-positive) clinically resembles adult rheumatoid arthritis and is considered its childhood equivalent.		02.5220
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.		02.1110
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.		02.1110
HIV Coinfection
[description not available]		04.1330
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).		04.1330
Autolysis
The spontaneous disintegration of tissues or cells by the action of their own autogenous enzymes.		02.4120
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.9740
Fungal Lung Diseases
[description not available]		02.9540
Infections, Staphylococcal
[description not available]		02.7430
Staphylococcal Infections
Infections with bacteria of the genus STAPHYLOCOCCUS.		02.7430
Co-infection
[description not available]		03.0410
Fungal Diseases
[description not available]		02.7230
Opportunistic Infections
An infection caused by an organism which becomes pathogenic under certain conditions, e.g., during immunosuppression.		02.4620
Mycoses
Diseases caused by FUNGI.		02.7230
Allergy, Peanut
[description not available]		02.1310
Peanut Hypersensitivity
Allergic reaction to peanuts that is triggered by the immune system.		02.1310
Acquired Immune Deficiency Syndrome
[description not available]		02.1310
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.		02.1310
Malassezia furfur Infection
[description not available]		02.1310
Tinea Versicolor
A common chronic, noninflammatory and usually symptomless disorder, characterized by the occurrence of multiple macular patches of all sizes and shapes, and varying in pigmentation from fawn-colored to brown. It is seen most frequently in hot, humid, tropical regions and is mostly caused by MALASSEZIA FURFUR (formerly Pityrosporum orbiculare).		02.1310
Infections, Proteus
[description not available]		02.1710
Symptom Cluster
[description not available]		02.0510
Syndrome
A characteristic symptom complex.		07.0510
Hepatocellular Carcinoma
[description not available]		02.0510
Cancer of Liver
[description not available]		02.0510
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.		02.0510
Liver Neoplasms
Tumors or cancer of the LIVER.		02.0510
Allergy, Milk
[description not available]		02.0510
Milk Hypersensitivity
Allergic reaction to milk (usually cow's milk) or milk products. MILK HYPERSENSITIVITY should be differentiated from LACTOSE INTOLERANCE, an intolerance to milk as a result of congenital deficiency of lactase.		02.0510
Birth Weight
The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms.		02.0610
Fetal Growth Restriction
[description not available]		02.0610
Fetal Growth Retardation
Failure of a FETUS to attain expected GROWTH.		02.0610
Autoimmune Diabetes
[description not available]		02.0510
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.		07.0510
Dermatomycoses
Superficial infections of the skin or its appendages by any of various fungi.		02.0610
Iron Overload
An excessive accumulation of iron in the body due to a greater than normal absorption of iron from the gastrointestinal tract or from parenteral injection. This may arise from idiopathic hemochromatosis, excessive iron intake, chronic alcoholism, certain types of refractory anemia, or transfusional hemosiderosis. (From Churchill's Illustrated Medical Dictionary, 1989)		02.0610
Infection
[description not available]		07.0710
Infections
Invasion of the host organism by microorganisms or their toxins or by parasites that can cause pathological conditions or diseases.		07.0710
Adverse Drug Event
[description not available]		02.0710
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.		02.0710
Experimental Neoplasms
[description not available]		02.0710
Histoplasma capsulatum Infection
[description not available]		02.0110
Histoplasmosis
Infection resulting from exposure to the fungus HISTOPLASMA. It is worldwide in distribution and particularly common in the central and eastern states, especially areas around the Ohio and Mississippi River valleys.		02.0110
Brain Disorders
[description not available]		02.0310
Central Nervous System Fungal Infections
MYCOSES of the brain, spinal cord, and meninges which may result in ENCEPHALITIS; MENINGITIS, FUNGAL; MYELITIS; BRAIN ABSCESS; and EPIDURAL ABSCESS. Certain types of fungi may produce disease in immunologically normal hosts, while others are classified as opportunistic pathogens, causing illness primarily in immunocompromised individuals (e.g., ACQUIRED IMMUNODEFICIENCY SYNDROME).		02.0310
Brain Diseases
Pathologic conditions affecting the BRAIN, which is composed of the intracranial components of the CENTRAL NERVOUS SYSTEM. This includes (but is not limited to) the CEREBRAL CORTEX; intracranial white matter; BASAL GANGLIA; THALAMUS; HYPOTHALAMUS; BRAIN STEM; and CEREBELLUM.		02.0310
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)		02.0410
Infections, Legionella pneumophila
[description not available]		02.0410
Granuloma, Hodgkin
[description not available]		01.9610
Hodgkin Disease
A malignant disease characterized by progressive enlargement of the lymph nodes, spleen, and general lymphoid tissue. In the classical variant, giant usually multinucleate Hodgkin's and REED-STERNBERG CELLS are present; in the nodular lymphocyte predominant variant, lymphocytic and histiocytic cells are seen.		01.9610
Leukemia P388
An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene.		01.9810
Cell Transformation, Viral
An inheritable change in cells manifested by changes in cell division and growth and alterations in cell surface properties. It is induced by infection with a transforming virus.		01.9910
Cerebromeningitis
[description not available]		02.4120
Blastomyces brasiliensis Infection
[description not available]		0210
Abnormalities, Autosome
[description not available]		02.0110