| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
3-hydroxykynurenine
3-hydroxykynurenine: RN given refers to cpd without isomeric designation. 3-hydroxykynurenine : A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3.. hydroxykynurenine : A hydroxy-amino acid that is kynurenine substituted by a single hydroxy group at unspecified position. A "closed" class. | 7.13 | 1 | 0 | hydroxykynurenine | human 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. | 3.11 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
acetaldehyde
Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. | 3 | 4 | 0 | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent |
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 7.64 | 3 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae 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. | 2.15 | 1 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
glycolaldehyde
[no description available] | 8.21 | 5 | 0 | glycolaldehydes | fundamental metabolite;
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. | 7.13 | 1 | 0 | aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline | 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. | 2.17 | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
hydroxypyruvic acid
hydroxypyruvic acid: RN given refers to parent cpd. 3-hydroxypyruvic acid : A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism. | 2.99 | 4 | 0 | 2-oxo monocarboxylic acid;
3-hydroxy monocarboxylic acid;
primary alpha-hydroxy ketone | Escherichia coli metabolite;
human metabolite |
phenol
[no description available] | 1.96 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse 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. | 3.51 | 2 | 0 | orthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid | anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role) |
sulfuric acid
sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. | 1.96 | 1 | 0 | sulfur oxoacid | catalyst |
sorbitol
D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol). | 3.11 | 1 | 0 | glucitol | cathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent |
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. | 2.01 | 1 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
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. | 3.51 | 2 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic 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. | 2.06 | 1 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
quinic acid
(-)-quinic acid : The (-)-enantiomer of quinic acid. | 3.11 | 1 | 0 | | |
acetophenone
acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | 2.06 | 1 | 0 | acetophenones | animal metabolite;
photosensitizing agent;
xenobiotic |
3-hydroxybutanal
[no description available] | 2.02 | 1 | 0 | | |
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. | 3.11 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
thiamine pyrophosphate
Thiamine Pyrophosphate: The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.. thiamine(1+) diphosphate chloride : An organic chloride salt of thiamine(1+) diphosphate. | 2.8 | 3 | 0 | organic chloride salt;
vitamin B1 | |
copper gluconate
Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters. | 3.53 | 2 | 0 | organic molecular entity | |
2,3-diketogulonic acid
2,3-Diketogulonic Acid: Metabolite of ASCORBIC ACID and the oxidized form of the lactone DEHYDROASCORBIC ACID.. 2,3-diketogulonic acid : A carbohydrate acid formally derived from gulonic acid by oxidation of the -OH groups at positions 2 and 3 to keto groups. | 2 | 1 | 0 | | |
mannose
mannopyranose : The pyranose form of mannose. | 1.93 | 1 | 0 | D-aldohexose;
D-mannose;
mannopyranose | 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. | 2.04 | 1 | 0 | diatomic fluorine;
gas molecular entity | NMR chemical shift reference compound |
galactose
aldohexose : A hexose with a (potential) aldehyde group at one end. | 2.37 | 2 | 0 | | |
fructose-6-phosphate
fructose-6-phosphate: RN given refers to parent cpd with unspecified isomeric designation. fructose 6-phosphate : A ketohexose monophosphate consisting of fructose having a phosphate group located at the 6-position. | 2.31 | 1 | 0 | D-fructose 6-phosphate | |
ribose-5-phosphate
ribose-5-phosphate: RN given refers to cpd without isomeric designation | 2 | 1 | 0 | D-ribose 5-phosphate | |
erythrose
D-erythrose : The D-enantiomer of erythrose. | 7.38 | 2 | 0 | erythrose | plant metabolite |
threonic acid
threonic acid: RN given refers to (R*,S*)-isomer | 2 | 1 | 0 | threonic acid | |
erythritol
[no description available] | 3.28 | 6 | 0 | butane-1,2,3,4-tetrol | antioxidant;
human metabolite;
plant metabolite |
glyceraldehyde 3-phosphate
Glyceraldehyde 3-Phosphate: An aldotriose which is an important intermediate in glycolysis and in tryptophan biosynthesis.. glyceraldehyde 3-phosphate : An aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms. | 2.41 | 2 | 0 | glyceraldehyde 3-phosphate | mouse metabolite |
xylulose-5-phosphate, (d)-isomer
D-xylulose 5-phosphate : The D-enantiomer of xylulose 5-phosphate. | 2.73 | 3 | 0 | xylulose 5-phosphate | Escherichia coli metabolite;
mouse metabolite |
3-dehydroquinic acid
3-dehydroquinic acid: structure in first source. 3-dehydroquinic acid : A 4-oxo monocarboxylic acid derived from quinic acid by oxidation of the hydroxy group at position 3 to the corresponding keto group. | 3.11 | 1 | 0 | 2-hydroxy monocarboxylic acid;
4-hydroxy monocarboxylic acid;
4-oxo monocarboxylic acid;
5-hydroxy monocarboxylic acid;
secondary alpha-hydroxy ketone | Escherichia coli metabolite |
dehydroascorbic acid
Dehydroascorbic Acid: The reversibly oxidized form of ascorbic acid. It is the lactone of 2,3-DIKETOGULONIC ACID and has antiscorbutic activity in man on oral ingestion.. L-dehydroascorbate : An organic anion and the conjugate base of L-dehydroascorbic acid, arising from deprotonation of the acidic C2-position.. L-dehydroascorbic acid : Dehydroascorbic acid having the L-configuration. | 2.41 | 2 | 0 | dehydroascorbic acid;
vitamin C | coenzyme;
mouse 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) | 3.11 | 1 | 0 | flavin adenine dinucleotide;
vitamin B2 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group |
oxazolone
Oxazolone: Immunologic adjuvant and sensitizing agent. | 2.04 | 1 | 0 | | |
D-fructopyranose
[no description available] | 3.11 | 1 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
epsilon-tert-butyloxycarbonyl-lysine
epsilon-tert-butyloxycarbonyl-lysine: RN given refers to (L)-isomer | 2.01 | 1 | 0 | | |
2-amino-1,3,4-butanetriol
2-amino-1,3,4-butanetriol: structure in first source | 2.48 | 2 | 0 | | |
2-ketogluconate
2-ketogluconate: RN given refers to parent cpd without isomeric designation. 2-dehydro-D-gluconic acid : A ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 2 has been oxidised to a keto group. | 3.11 | 1 | 0 | keto-D-gluconic acid | bacterial metabolite |
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 | 1 | 0 | | |
boronolide
boronolide: structure in first source | 2.01 | 1 | 0 | | |
sodium cyanoborohydride
sodium cyanoborohydride: reagent for preparing biologically active nitroxides | 2.31 | 1 | 0 | | |
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 2.43 | 2 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |