Compounds > 1-butyl-3-methylimidazolium chloride
Page last updated: 2024-11-09

1-butyl-3-methylimidazolium chloride

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

1-butyl-3-methylimidazolium chloride: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID2734161
CHEMBL ID3183408
SCHEMBL ID36718
SCHEMBL ID3859328
MeSH IDM0488006

Synonyms (51)

Synonym
AKOS015833153
3-butyl-1-methyl-1h-imidazol-3-ium chloride (ionic liquid)
79917-90-1
1-butyl-3-methylimidazolium chloride
1-butyl-3-methylimidazolium chloride, >=98.0% (hplc)
B2194
tox21_303611
dtxcid4011461
cas-79917-90-1
NCGC00257359-01
dtxsid6031461 ,
tox21_201690
NCGC00259239-01
FT-0608140
(bmim)cl
unii-41ps77334a
1h-imidazolium, 3-butyl-1-methyl-, chloride (1:1)
butylmethylimidazolium chloride
basionic st-70
3-butyl-1-methylimidazolium chloride
41ps77334a ,
butylmethylimidazolium chloride [mi]
1-n-butyl-3-methylimidazolium chloride
3-butyl-1-methyl-1h-imidazol-3-ium chloride
AKOS015901576
bmimcl
FHDQNOXQSTVAIC-UHFFFAOYSA-M
1-butyl-3-methylimi-dazolium chloride
1-butyl-3-methyl imidazolium chloride
1-methyl-3-butyl imidazolium chloride
SCHEMBL36718
SCHEMBL3859328
1-butyl-3-methyl-1h-imidazol-3-ium chloride
Q-102658
AC-30201
CHEMBL3183408
mfcd03095425
1-butyl-3-methylimidazolium chloride, >=99.0% (hplc)
1-butyl-3-methylimidazolium chloride, >=99%
SY023278
Q5772857
[bmim]cl
CS-W017474
1-butyl-3-methylimidazol-3-ium;chloride
AS-17508
AC1310
A864791
3-butyl-1-methyl-1h-imidazol-3-iumchloride
1-butyl-3-methylimidazolium chloride, puriss
1-butyl-3-methylimidazolium chloride [bmim]cl
1-butyl-3-methylimidazolium chloride (hplc)

Research Excerpts

Toxicity

ExcerptReferenceRelevance
"Although considered as "green" solvents, the toxic effects of ionic liquids (ILs) on organisms have been widely investigated in recent years."( The genotoxic and cytotoxic effects of 1-butyl-3-methylimidazolium chloride in soil on Vicia faba seedlings.
Liu, T; Wang, J; Xie, H; Zhu, L, 2015)		0.69
"This study deals with the toxic effect of ionic liquid, 1-butyl-3-methylimidazolium bromide (BMImBr) on guppy fish, Poecilia reticulata."( Toxicity study of ionic liquid, 1-butyl-3-methylimidazolium bromide on guppy fish, Poecilia reticulata and its biodegradation by soil bacterium Rhodococcus hoagii VRT1.
Kodam, KM; Thamke, VR, 2016)		0.43

Bioavailability

ExcerptReferenceRelevance
" Systemic bioavailability was determined to be 62."( The effects of dose and route on the toxicokinetics and disposition of 1-butyl-3-methylimidazolium chloride in male F-344 rats and female B6C3F1 mice.
Knudsen, GA; Kuester, RK; Sipes, IG, 2008)		0.58
" This reduction of freely dissolved concentration gave rise to remarkable reduction of bioavailability and toxicity of the two ILs."( Sorption to dissolved humic acid and its impacts on the toxicity of imidazolium based ionic liquids.
Cai, XQ; Jiang, GB; Jiang, WW; Liu, JF; Luo, WR; Zhang, Z, 2011)		0.37
" These results evidenced the different influence of the IL structure and operating conditions on the solubility and absorption rate of CO2, illustrating the importance of considering both thermodynamic and kinetic aspects to select adequate ILs for CO2 absorption."( Anion effects on kinetics and thermodynamics of CO2 absorption in ionic liquids.
Abrusci, C; Bedia, J; Gonzalez-Miquel, M; Palomar, J; Rodriguez, F, 2013)		0.39

Dosage Studied

ExcerptRelevanceReference
"From gestation days (GD) 6-16, mated CD-1 mice were orally dosed with one of the following: 1,000, 2,000, or 3,000 mg/kg/day [C(2)mim]Cl; 113, 169, or 225 mg/kg/day [C(4)mim]Cl; 50, 75, or 100 mg/kg/day [C(10)mim]Cl; or the vehicle only."( A comparison of the effects of prenatal exposure of CD-1 mice to three imidazolium-based ionic liquids.
Bailey, MM; Beaird, J; Di Bona, KR; Henson, MB; Hood, RD; Hough, WL; Jernigan, PL; Lockhard, JE; Lovich, AN; Rasco, JF; Rogers, RD; Sherrill, J; Sturdivant, J; Swatloski, RP, 2010)		0.36
"Fetal weight was significantly decreased in the two highest dosage groups exposed to [C(4)mim]Cl and [C(10)mim]Cl in comparison with their controls, but the [C(2)mim]Cl treated groups were not affected."( A comparison of the effects of prenatal exposure of CD-1 mice to three imidazolium-based ionic liquids.
Bailey, MM; Beaird, J; Di Bona, KR; Henson, MB; Hood, RD; Hough, WL; Jernigan, PL; Lockhard, JE; Lovich, AN; Rasco, JF; Rogers, RD; Sherrill, J; Sturdivant, J; Swatloski, RP, 2010)		0.36
" The effects of catalyst dosage (mole ratio of catalyst to glucose units in the feedstock) and reaction temperature on HMF yields were investigated to obtain optimal process conditions."( Catalytic hydrolysis of lignocellulosic biomass into 5-hydroxymethylfurfural in ionic liquid.
Wang, P; Wang, S; Yu, H; Zhan, S, 2011)		0.37
" Various reaction parameters such as reaction time, reaction temperature, solvent and catalyst dosage were investigated in detail."( Efficient conversion of cellulose into biofuel precursor 5-hydroxymethylfurfural in dimethyl sulfoxide-ionic liquid mixtures.
Fang, Z; Liu, B; Wang, Y; Xiao, S; Zhang, Z, 2014)		0.4
" Also, it was found that the dye can be higher adsorbed on the beads surface by increasing the sorbent dosage and pH of solution, while the optimum dosage and pH were obtained 3 mg/L and 11, respectively."( Novel 1-butyl-3-methylimidazolium bromide impregnated chitosan hydrogel beads nanostructure as an efficient nanobio-adsorbent for cationic dye removal: Kinetic study.
Alizadeh, M; Ayati, A; Karimi, F; Karimi-Maleh, H; Orooji, Y; Ranjbari, S; Rouhi, J; Salmanpour, S; Sen, F; Sillanpää, M; Tanhaei, B, 2021)		0.62
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
acetylcholinesteraseHomo sapiens (human)Potency74.96320.002541.796015,848.9004AID1347395
progesterone receptorHomo sapiens (human)Potency27.30600.000417.946075.1148AID1346784
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency33.07530.003041.611522,387.1992AID1159552; AID1159555
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency0.61130.001530.607315,848.9004AID1224841
estrogen nuclear receptor alphaHomo sapiens (human)Potency31.50180.000229.305416,493.5996AID743069; AID743075; AID743079
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency0.86350.000323.4451159.6830AID743065
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (2)

Assay IDTitleYearJournalArticle
AID1271200Cytotoxicity against human 3215LS cells after 24 hrs by MTT assay2015ACS medicinal chemistry letters, Nov-12, Volume: 6, Issue:11
Cytotoxic Activity of Salicylic Acid-Containing Drug Models with Ionic and Covalent Binding.
AID1271201Cytotoxicity against human Caco2 cells after 24 hrs by MTT assay2015ACS medicinal chemistry letters, Nov-12, Volume: 6, Issue:11
Cytotoxic Activity of Salicylic Acid-Containing Drug Models with Ionic and Covalent Binding.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (215)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's30 (13.95)29.6817
2010's173 (80.47)24.3611
2020's12 (5.58)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 40.51

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 strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index40.51 (24.57)
Research Supply Index5.38 (2.92)
Research Growth Index5.10 (4.65)
Search Engine Demand Index58.93 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (40.51)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (0.46%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other216 (99.54%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
ethylene glycol
Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water.		2.2510ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).		2.2110ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.		2.6120azane;
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
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)		2.5520halide anion;
monoatomic bromine
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.		2.110alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
carbamates
[no description available]		2.1310amino-acid anion
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).		3.1950alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas
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.		2.0610tricarboxylic 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.		3.81100halide 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.		2.7830chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).		2.1110monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
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.		2.0310gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
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.		3.1950sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
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.		3.4670elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.		3.0240imidazole
iodine
Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge..		2.0810diatomic iodinenutrient
itaconic acid
itaconic acid : A dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group.		2.2510dicarboxylic acid;
dicarboxylic fatty acid;
olefinic compound		fungal metabolite;
human 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.		2.1310alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
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.		2.0510metal allergen;
nickel group element atom		epitope;
micronutrient
phosphorylcholine
Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.		2.0410phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.		7.7630azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
sulfuric acid
sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.		2.9840sulfur oxoacidcatalyst
sulfur dioxide
Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant.		2.0310sulfur oxideEscherichia coli metabolite;
food bleaching agent;
refrigerant
urea
pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.		2.110isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
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.		3.570aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
1-methylimidazole
1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position.		2.0810imidazoles
4-aminopyridine
[no description available]		2.0710aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker
chlorpheniramine
Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.		2.0410monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
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.		2.110nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
ethidium
Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.		2.0510phenanthridinesfluorochrome;
intercalator
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine		2.0610monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
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.		2.04103-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
papaverine
Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.		2.0210benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
sorbitol
D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol).		2.0510glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.		2.1510glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
galactose
galactopyranose : The pyranose form of galactose.		2.0710D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite
tyrosine
Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.		2.0610amino 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
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.		2.0610amino 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
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.		2.0610amino 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
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.		2.4620formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent
valine
Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.		2.0610L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
tryptophan
Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.		2.4920erythrose 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
quinic acid
(-)-quinic acid : The (-)-enantiomer of quinic acid.		2.1510
peracetic acid
Peracetic Acid: A liquid that functions as a strong oxidizing agent. It has an acrid odor and is used as a disinfectant.. peracetic acid : A peroxy acid that is acetic acid in which the OH group is substituted by a hydroperoxy group. It is a versatile oxidising agent that is used as a disinfectant.		2.1310a peroxy aciddisinfectant;
oxidising agent
acenaphthenequinone
acenaphthoquinone : An orthoquinone that is the 1,2-dioxo derivative of acenaphthene.		2.1310orthoquinoneschain carrier;
epitope
phthalic anhydride
phthalic anhydride : The cyclic dicarboxylic anhydride that is the anhydride of phthalic acid.		2.1102-benzofurans;
cyclic dicarboxylic anhydride		allergen
quinoxalines
quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.		2.2110mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
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.		3.88110aldehyde;
furans		Maillard reaction product;
metabolite
4-toluenesulfonyl chloride
[no description available]		2.0710
acetophenone
acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.		2.0710acetophenonesanimal metabolite;
photosensitizing agent;
xenobiotic
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.		2.2510epoxide;
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.		2.1110enoate ester;
epoxide
2-methylpentane
Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.		2.1310alkane
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.		2.110cyclic dicarboxylic anhydride;
furans		allergen
butyl chloride
butyl chloride: structure		2.4820
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.		2.0710cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound		polar aprotic solvent
isopropyl myristate
isopropyl myristate: used for microemulsions; structure		2.110fatty acid ester
n-hexane
hexane : An unbranched alkane containing six carbon atoms.		2.1310alkane;
volatile organic compound		neurotoxin;
non-polar solvent
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).		2.0410alkaneplant metabolite
triethylamine
[no description available]		2.0710tertiary amine
shikimic acid
Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms.		2.0610alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
ditiocarb
Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.		2.0510dithiocarbamic acidschelator;
copper chelator
phthalazine
phthalazine : An azaarene that is the 2,3-diaza analogue of naphthalene. The parent of the class of phthalazines.		2.0710azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
phthalazines
thiazoles
[no description available]		2.17101,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
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.		2.4820calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound		antacid;
fertilizer;
food colouring;
food firming agent
epitestosterone
Epitestosterone: The 17-alpha isomer of TESTOSTERONE, derived from PREGNENOLONE via the delta5-steroid pathway, and via 5-androstene-3-beta,17-alpha-diol. Epitestosterone acts as an antiandrogen in various target tissues. The ratio between testosterone/epitestosterone is used to monitor anabolic drug abuse.. epitestosterone : An androstanoid that is the C-17 epimer of testosterone.		2.021017alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen antagonist;
human metabolite
sodium carbonate
sodium carbonate: used topically for dermatitides, mouthwash, vaginal douche; veterinary use as emergency emetic; RN given refers to carbonic acid, di-Na salt; structure		2.0710carbonate salt;
organic sodium salt
alpha-aminopyridine
alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.		2.0710
cellobiose
beta-cellobiose : A cellobiose with beta configuration at the reducing-end glucose residue.		2.7630cellobioseepitope
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.		2.1310dialdehydebiomarker
n-hexadecane
n-hexadecane: structure. hexadecane : A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.		2.110long-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component
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.		2.1710bis(azo) compound
2-piperidone
2-piperidone: structure given in first source. piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2.		2.1710delta-lactam;
piperidones		EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor
potassium citrate
Potassium Citrate: A powder that dissolves in water, which is administered orally, and is used as a diuretic, expectorant, systemic alkalizer, and electrolyte replenisher.. potassium citrate (anhydrous) : The anhydrous form of the tripotassium salt of citric acid.		2.0610potassium saltdiuretic
1-methylpyridinium
1-methylpyridinium: RN given refers to parent cpd		2.1110methylpyridines
4-dimethylaminopyridine
4-dimethylaminopyridine: catalyst for acetylation of hydroxy cpds; structure		2.0710dialkylarylamine;
tertiary amino compound
potassium hydroxide
potassium hydroxide: RN given refers to cpd with MF of K-OH		2.0710alkali 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)		2.1110alkali metal hydroxide
vancomycin
Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.		2.2110glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
thioflavin t
thioflavin T: RN given refers to chloride; structure. thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo.		2.1710organic chloride saltfluorochrome;
geroprotector;
histological dye
streptomycin
[no description available]		2.2110antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
carbonates
Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.		7.830carbon oxoanion
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.		2.4920elemental mercury;
zinc group element atom		neurotoxin
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.		2.0510iron group element atom;
platinum group metal atom
samarium
Samarium: An element of the rare earth family of metals. It has the atomic symbol Sm, atomic number 62, and atomic weight 150.36. The oxide is used in the control rods of some nuclear reactors.		2.0510f-block element atom;
lanthanoid atom
scandium
Scandium: An element of the rare earth family of metals. It has the atomic symbol Sc, atomic number 21, and atomic weight 45.		2.0810d-block element atom;
rare earth metal atom;
scandium group element 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.		2.1310copper group element atom;
elemental silver		Escherichia coli metabolite
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.		2.2510cadmium molecular entity;
zinc group element atom
chromium
Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24.		2.0710chromium group element atom;
metal allergen		micronutrient
gold
Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.		2.7530copper group element atom;
elemental gold
aluminum chloride
Aluminum Chloride: A compound with the chemical formula AlCl3; the anhydrous salt is used as a catalyst in organic chemical synthesis, and hydrated salts are used topically as antiperspirants, and for the management of HYPERHYDROSIS.		2.7930aluminium coordination entityLewis acid
cupric chloride
cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state.		2.3110copper molecular entity;
inorganic chloride		EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
ferric chloride
ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents		2.4720iron coordination entityastringent;
Lewis acid
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.		2.1310dihydrogen
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.		2.0310diatomic chlorine;
gas molecular entity		bleaching agent
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.		2.4820deuterated compound;
water		NMR solvent
fluorosulfonic acid
perfluorosulfonic acid: sulfonated tetrafluoroethylene-based fluoropolymer–copolymer		2.0510sulfur oxoacidNMR solvent
galactose
aldohexose : A hexose with a (potential) aldehyde group at one end.		2.110
aluminum sulfate
aluminium sulfate (anhydrous) : An aluminium sulfate that contains no water of crystallisation.		2.1110aluminium sulfate
iodine
[no description available]		2.1110halide anion;
monoatomic iodine		human metabolite
thymolphthalein
Thymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.		2.0710terpene lactone
dimethylacetamide
hallucinogen : Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.. N,N-dimethylacetamide : A member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism.		2.0710acetamides;
monocarboxylic acid amide		human metabolite
vanadates
Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.		2.0510trivalent inorganic anion;
vanadium oxoanion		EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
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.		3.1950inorganic phosphate salt;
inorganic potassium salt
aluminum phosphate
aluminum phosphate: gel used as immunologic adjuvent; RN given refers to Al salt		2.0410
glucose, (beta-d)-isomer
beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.		2.1310D-glucopyranoseepitope;
mouse metabolite
nile red
nile red : An organic heterotetracyclic compound that is 5H-benzo[a]phenoxazin-5-one substituted at position 9 by a diethylamino group.		2.1710aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound		fluorochrome;
histological dye
thymol blue
thymol blue: RN given refers to parent cpd		2.0710
laurosept
Laurosept: RN given refers to bromide		2.2110
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.		2.0610abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
dimyristoylphosphatidylglycerol
[no description available]		2.0410
procyanidin
Proanthocyanidins: Dimers and oligomers of flavan-3-ol units (CATECHIN analogs) linked mainly through C4 to C8 bonds to leucoanthocyanidins. They are structurally similar to ANTHOCYANINS but are the result of a different fork in biosynthetic pathways.		2.0710proanthocyanidin
carbene
carbene: electrically neutral species H2C: and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons; carbene is the name of the parent hydride :CH2 ; hence, the name dichlorocarbene for :CCl2. However, names for acyclic and cyclic hydrocarbons containing one or more divalent carbon atoms are derived from the name of the corresponding all-4-hydrocarbon using the suffix -ylidene; methylene carbene also available. carbene : The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state).		2.0710carbene;
methanediyl
methotrexate
[no description available]		2.110dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
xylose
xylopyranose: structure in first source		2.0810D-xylose
proline
Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.		2.1110amino 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
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.		3.91101-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.		4.04130
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.		3.79100arenecarbaldehyde;
furans;
primary alcohol		indicator;
Maillard reaction product
lithium chloride
Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion.		2.0710inorganic chloride;
lithium salt		antimanic drug;
geroprotector
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.		3.91110cellotriose
patchouli alcohol
patchouli alcohol: major component of the essential oil of patchouli; perfumery raw material. patchouli alcohol : A carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0(3,8)]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer).		2.0610
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.		2.4620cyclodextrin
fumaric acid
fumaric acid: see also record for ferrous fumarate; use FUMARATES for general fumaric acid esters. fumaric acid : A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.		7.1710butenedioic acidfood acidity regulator;
fundamental metabolite;
geroprotector
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration.		2.0310resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
cyanoginosin lr
cyanoginosin LR: cyclic heptapeptide from cyanobacterium Microcystis aeruginosa. microcystin-LR : A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins.		2.0810microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
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.		2.0810octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
bromochloroacetic acid
Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.		2.13102-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
11-mercaptoundecanoic acid
[no description available]		2.0410
stilbenes
Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.		2.0310stilbene
isoliquiritigenin
[no description available]		2.2510chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
sesquiterpenes
[no description available]		2.0610
chlorogenic acid
caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.		2.1510cinnamate ester;
tannin		food component;
plant metabolite
D-fructopyranose
[no description available]		2.7930cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
1-butyl-3-methylimidazolium
1-butyl-3-methylimidazolium: structure in first source. 1-butyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is butyl.		2.11101-alkyl-3-methylimidazolium
1-hexyl-3-methylimidazolium
1-hexyl-3-methylimidazolium: structure in first source. 1-hexyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is hexyl.		3.52701-alkyl-3-methylimidazolium
1-butyl-2,3-dimethylimidazolium
1-butyl-2,3-dimethylimidazolium: structure in first source		2.0610
1-butyl-3-methylimidazolium hexafluorophosphate
1-butyl-3-methylimidazolium hexafluorophosphate: structure in first source		2.9840
1-butyl-3-methylimidazolium tetrafluoroborate
[no description available]		3.76100
1-methyl-3-octylimidazolium chloride
1-methyl-3-octylimidazolium chloride: use as an ionic liquid solution. 3-methyl-1-octylimidazolium chloride : An organic chloride salt in which the cationic component is 3-methyl-1-octylimidazolium.		2.1710organic chloride salt
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.		3.18501-alkyl-3-methylimidazolium
1-ethyl-3-methylimidazolium bromide
1-ethyl-3-methylimidazolium bromide: structure in first source		2.0810
laccase
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.		2.0610
lithium
Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.		2.1310alkali metal atom
1-butyl-3-methylpyridinium
1-butyl-3-methylpyridinium: structure in first source		2.1110
galactomannan
galactomannan: a galectin inhibitor. galactomannan : A heteroglycan consisting of a mannan backbone with galactose side groups.		2.0710oligosaccharide
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.		2.520
vitexin
[no description available]		2.1310C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
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.		2.1310trihydroxyflavoneantineoplastic agent;
metabolite
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.		7.0510disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
1-palmitoyl-2-oleoylglycero-3-phosphoglycerol
[no description available]		2.1310phosphatidylglycerol
codeine
[no description available]		2.0210morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
bismuth
Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.		2.1510metal atom;
pnictogen
gallium
Gallium: A rare, metallic element designated by the symbol, Ga, atomic number 31, and atomic weight 69.72.. gallium atom : A metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq.		2.0710boron group element atom
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.		2.0810chalcogen;
nonmetal atom		macronutrient
fumarates
Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)		2.1710butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite
boron
Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY.		7.5720boron group element atom;
metalloid atom;
nonmetal atom		micronutrient
vitexin rhamnoside
vitexin rhamnoside: an apigenin		2.1310flavonoids;
glycoside
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).		2.1110aminopyrimidine;
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
scandium chloride
[no description available]		2.0810
1-allyl-3-methylimidazolium
1-allyl-3-methylimidazolium: structure in first source		2.4920
chlorophyll b
[no description available]		2.1110chlorophyllcofactor
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.		2.0610
n-butylpyridinium
[no description available]		7.4110
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.		2.2110
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.		2.0610
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.		5.56640glycoside
1-butyl-3-methylimidazolium nitrate
1-butyl-3-methylimidazolium nitrate: structure in first source		2.0610
phosphatidylcholines
Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.		2.13101,2-diacyl-sn-glycero-3-phosphocholine
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.		2.5220chlorophyll;
methyl ester		cofactor
chitosan
[no description available]		8.5170
potassium borohydride
[no description available]		2.0510
mannans
[no description available]		2.7930
tilmicosin
tilmicosin: semi-synthetic antibiotic. tilmicosin : A macrolide antibiotic with formula C46H80N2O13. It is used for the treatment of respiratory disease in cattle at high risk of developing bovine respiratory disease associated with Mannheimia haemolytica.		2.0810
tylosin
[no description available]		2.0810
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.		2.0810
sorbitan monolaurate
sorbitan monolaurate: span type materials are artificial esters of the common fatty acids & hexitol anhydrides derived from sorbitol		2.110
orabase
Orabase: used in therapy of oral mucosal ulcers		2.1510
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.		2.1710
levoleucovorin
Levoleucovorin: A folate analog consisting of the pharmacologically active isomer of LEUCOVORIN.. (6S)-5-formyltetrahydrofolic acid : The pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid.		2.1105-formyltetrahydrofolic acidantineoplastic agent;
metabolite
folic acid
folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.		2.110folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
pheophytin a
pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S*,11S*),4beta,21beta))-isomer		2.1110
ConditionIndicatedRelationship StrengthStudiesTrials
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)		02.2510
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)		02.7430
Pregnancy
The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.		02.0510
Weight Gain
Increase in BODY WEIGHT over existing weight.		02.0510
Pink Eye
[description not available]		02.0210
Contact Dermatitis
[description not available]		02.0210
Conjunctivitis
INFLAMMATION of the CONJUNCTIVA.		02.0210
Dermatitis, Contact
A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.		02.0210