| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
3-phenylpropionic acid
3-phenylpropionic acid: RN given refers to parent cpd. 3-phenylpropionic acid : A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. | 2.13 | 1 | 0 | benzenes;
monocarboxylic acid | antifungal agent;
human metabolite;
plant metabolite |
2-keto-4-methylthiobutyric acid
2-keto-4-methylthiobutyric acid: RN given refers to parent cpd; structure. 4-methylthio-2-oxobutanoic acid : A 2-oxo monocarboxylic acid derived from L-methionine via the action of methionine transaminase. | 2.13 | 1 | 0 | omega-(methylthio)-2-oxocarboxylic acid | |
oxamic acid
Oxamic Acid: Amino-substituted glyoxylic acid derivative.. oxamic acid : A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. | 4.2 | 17 | 0 | dicarboxylic acid monoamide | Escherichia coli metabolite |
phenylpyruvic acid
phenylpyruvic acid: RN given refers to parent cpd. phenylpyruvate : A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of either keto- or enol-phenylpyruvic acid.. keto-phenylpyruvic acid : A 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway. | 2.13 | 1 | 0 | 2-oxo monocarboxylic acid | chromogenic compound;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
fundamental metabolite |
pyruvic acid
Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis. | 2.13 | 1 | 0 | 2-oxo monocarboxylic acid | cofactor;
fundamental metabolite |
acetochlor
acetochlor : A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively. | 2.92 | 4 | 0 | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
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. | 2.7 | 3 | 0 | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic |
atrazine
[no description available] | 2.72 | 3 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
kynurenic acid
Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.. kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. | 1.95 | 1 | 0 | monohydroxyquinoline;
quinolinemonocarboxylic acid | G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite |
metolachlor
metolachlor: structure given in first source. metolachlor : A racemate that consists of equimolar amounts of (R)- and (S)-metolachlor.. 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide : An organochlorine compound that is 2-chloroacetamide substituted by a (2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl) group at the nitrogen atom. | 8.41 | 7 | 0 | aromatic amide;
benzenes;
ether;
organochlorine compound | |
propazine
propazine: relatively non-toxic triazine herbicide; minor descriptor (75-82); online & Index Medicus search TRIAZINES (75-82). propazine : A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. | 2.04 | 1 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
simazine
Simazine: A triazine herbicide.. simazine : A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. | 2.04 | 1 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
xanthurenic acid
xanthurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by hydroxy groups at C-4 and C-8. | 1.95 | 1 | 0 | dihydroxyquinoline;
quinolinemonocarboxylic acid | animal metabolite;
iron chelator;
metabotropic glutamate receptor agonist;
vesicular glutamate transport inhibitor |
aniline
[no description available] | 7.01 | 1 | 0 | anilines;
primary arylamine | |
chloroacetamide
[no description available] | 2.02 | 1 | 0 | | |
quinaldic acid
[no description available] | 1.95 | 1 | 0 | quinolinemonocarboxylic acid | human metabolite;
Saccharomyces cerevisiae metabolite |
1-phenyl-2-propanone
1-phenyl-2-propanone: analog of propiophenone where carbonyl group is on the 2 carbon atom instead of the 1 carbon atom of the side chain. phenylacetone : A propanone that is propan-2-one substituted by a phenyl group at position 1. | 2.13 | 1 | 0 | methyl ketone;
propanones | |
4-trifluoromethylaniline
4-trifluoromethylaniline : A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4. | 1.96 | 1 | 0 | (trifluoromethyl)benzenes;
substituted aniline | metabolite |
ethane sulfonate
[no description available] | 3.52 | 8 | 0 | alkanesulfonic acid | |
phenylglyoxylic acid
phenylglyoxylic acid: styrene metabolite. phenylglyoxylic acid : A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group. | 2.13 | 1 | 0 | 2-oxo monocarboxylic acid | biomarker;
human xenobiotic metabolite |
2-benzylmalonate
[no description available] | 2.13 | 1 | 0 | | |
6-deisopropylatrazine
deisopropylatrazine : A diamino-1,3,5-triazine that is N-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. | 2 | 1 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | bacterial xenobiotic metabolite;
marine xenobiotic metabolite |
4-deethylatrazine
desethylatrazine: a chlorotriazine herbicide; structure in first source. deethylatrazine : A chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group. | 2 | 1 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | marine xenobiotic metabolite |
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. | 2.08 | 1 | 0 | diatomic fluorine;
gas molecular entity | NMR chemical shift reference compound |
cromolyn sodium
Cromolyn Sodium: A chromone complex that acts by inhibiting the release of chemical mediators from sensitized MAST CELLS. It is used in the prophylactic treatment of both allergic and exercise-induced asthma, but does not affect an established asthmatic attack.. disodium cromoglycate : An organic sodium salt that is the disodium salt of cromoglycic acid. | 1.95 | 1 | 0 | organic sodium salt | anti-asthmatic drug;
drug allergen |
cyanazine
cyanazine: structure. cyanazine : A chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively. | 2 | 1 | 0 | 1,3,5-triazinylamino nitrile;
chloro-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
foe 5043
FOE 5043: an oxyacetamide with herbicidal activity; structure given in first source. flufenacet : An aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group. | 2.01 | 1 | 0 | aromatic amide;
monofluorobenzenes;
thiadiazoles | environmental contaminant;
herbicide;
xenobiotic |
dimethenamid
dimethenamid: structure in first source. dimethenamid : A racemate composed of equimolar amounts of (R)- and (S)-dimethenamid. A herbicide, it is applied to the soil for the control of various broad-leaved weeds and grasses. Only the S enantiomer (generally known as dimethenamid-P) is active.. 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide : An organochlorine compound that is 2-chloroacetamide substituted by a 2,4-dimethylthiophen-3-yl and a 1-methoxypropan-2-yl group at the nitrogen atom. | 7.41 | 2 | 0 | aromatic amide;
ether;
organochlorine compound;
thiophenes | |
2-hydroxyatrazine
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol : A monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group. | 2 | 1 | 0 | diamino-1,3,5-triazine;
monohydroxy-1,3,5-triazine | human xenobiotic metabolite;
marine xenobiotic metabolite |