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. | 2.11 | 1 | 0 | benzoic acids | algal 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 |
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 2.02 | 1 | 0 | imidazole | |
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. | 2.11 | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
benzamide
benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. | 2.31 | 1 | 0 | benzamides | |
galactose
galactopyranose : The pyranose form of galactose. | 2.31 | 1 | 0 | D-galactose;
galactopyranose | Escherichia coli metabolite;
mouse metabolite |
trifluoroacetic acid
Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid. | 2.01 | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite;
NMR chemical shift reference compound;
reagent |
4-(dimethylamino)benzaldehyde
p-dimethylaminobenzaldehyde: structure in first source. 4-(dimethylamino)benzaldehyde : A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. | 1.97 | 1 | 0 | benzaldehydes;
substituted aniline;
tertiary amino compound | chromogenic compound |
2-methylpentane
Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 1.97 | 1 | 0 | alkane | |
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. | 4.12 | 15 | 0 | pyrrole;
secondary amine | |
2,5-hexanedione
2,5-hexanedione: metabolite of methyl-n-butyl ketone. 2,5-hexanedione : A diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone | 2.68 | 3 | 0 | diketone;
methyl ketone | human xenobiotic metabolite;
neurotoxin |
n-hexane
hexane : An unbranched alkane containing six carbon atoms. | 1.97 | 1 | 0 | alkane;
volatile organic compound | neurotoxin;
non-polar solvent |
n-methylpyrrolidine
N-methylpyrrolidine: RN given refers to parent cpd | 2.02 | 1 | 0 | | |
adenosine
quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 7.01 | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.02 | 1 | 0 | | |
dimethyl fumarate
[no description available] | 7.11 | 1 | 0 | diester;
enoate ester;
methyl ester | antipsoriatic;
immunomodulator |
piperidines
Piperidines: A family of hexahydropyridines. | 2.02 | 1 | 0 | | |
guanosine
ribonucleoside : Any nucleoside where the sugar component is D-ribose. | 7.01 | 1 | 0 | guanosines;
purines D-ribonucleoside | fundamental metabolite |