| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
3-chloroalanine
3-chloroalanine: RN given refers to parent cpd without isomeric designation. 3-chloroalanine : A chloroalanine obtained by replacement of one of the methyl hydrogens of alanine by a chloro group. | 1.98 | 1 | 0 | chloroalanine;
non-proteinogenic alpha-amino acid;
organochlorine compound | |
3-hydroxyisobutyric acid
3-hydroxyisobutyric acid: RN given refers to cpd without isomeric designation. 3-hydroxyisobutyric acid : A 4-carbon, branched hydroxy fatty acid and intermediate in the metabolism of valine. | 1.96 | 1 | 0 | 3-hydroxy monocarboxylic acid | |
gamma-aminobutyric acid
gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | 2.05 | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
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. | 1.97 | 1 | 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 |
beta-alanine
[no description available] | 7.69 | 3 | 0 | amino acid zwitterion;
beta-amino acid | agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter |
carbon monoxide
Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | 1.97 | 1 | 0 | carbon oxide;
gas molecular entity;
one-carbon compound | biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent |
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 1.97 | 1 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human 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. | 3.3 | 6 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
glyoxylic acid
glyoxylic acid: RN given refers to parent cpd. glyoxylic acid : A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom. | 1.98 | 1 | 0 | 2-oxo monocarboxylic acid;
aldehydic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae 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. | 2.25 | 1 | 0 | 2-oxo monocarboxylic acid | cofactor;
fundamental metabolite |
succinic semialdehyde
succinic semialdehyde: structure | 7.05 | 1 | 0 | aldehydic acid | Escherichia coli metabolite;
mouse metabolite |
uracil
2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | 2.5 | 2 | 0 | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
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. | 1.98 | 1 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
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. | 7.66 | 3 | 0 | alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite |
4-hydroxybutyric acid
4-hydroxybutyric acid: was an entry term to Sodium Oxybate (74-98). 4-hydroxybutyric acid : A 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group. | 2.48 | 2 | 0 | 4-hydroxy monocarboxylic acid;
hydroxybutyric acid | general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative |
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. | 4.18 | 17 | 0 | dialdehyde | biomarker |
alpha-fluoro-beta-alanine
alpha-fluoro-beta-alanine: metabolite of HCFU & 5-fluorouracil; structure in first source | 1.98 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
fluorides
[no description available] | 1.98 | 1 | 0 | halide anion;
monoatomic fluorine | |
3-aminoisobutyric acid
3-aminoisobutyric acid: RN given refers to cpd without isomeric designation. 3-aminoisobutyric acid : A beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group. | 1.96 | 1 | 0 | amino acid zwitterion;
beta-amino acid | metabolite |
hydracrylic acid
3-hydroxypropionic acid : A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group. | 3.3 | 6 | 0 | 3-hydroxy monocarboxylic acid;
omega-hydroxy-short-chain fatty acid | Escherichia coli metabolite;
human metabolite |
succinyl-coenzyme a
[no description available] | 7.05 | 1 | 0 | omega-carboxyacyl-CoA | Escherichia coli metabolite;
inhibitor;
mouse metabolite |
propionyl-coenzyme a
propionyl-coenzyme A: RN given refers to parent cpd | 1.96 | 1 | 0 | acyl-CoA | Escherichia coli metabolite;
metabolite;
mouse metabolite |
valerates
Valerates: Derivatives of valeric acid, including its salts and esters. | 1.96 | 1 | 0 | short-chain fatty acid anion;
straight-chain saturated fatty acid anion | plant metabolite |
5-fluorodihydrouracil
5-fluorodihydrouracil: metabolite of 5-fluorouracil; RN given refers to parent cpd | 1.98 | 1 | 0 | pyrimidone | |
2-ethylhydracrylic acid
2-ethylhydracrylic acid: newly described urinary organic acid; a metabolite of L-isoleucine; structure. 2-ethylhydracrylic acid : A branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism. | 1.96 | 1 | 0 | branched-chain saturated fatty acid;
hydroxy fatty acid;
short-chain fatty acid | human metabolite |
acetyl coenzyme a
Acetyl Coenzyme A: Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent. | 2.63 | 3 | 0 | acyl-CoA | acyl donor;
coenzyme;
effector;
fundamental metabolite |
3-chloroacrylic acid
3-chloroacrylic acid: structure given in first source. 3-chloroacrylic acid : A chlorocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is substituted by chlorine. | 1.97 | 1 | 0 | | |
malonyl coenzyme a
Malonyl Coenzyme A: A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems.. omega-carboxyacyl-CoA : An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of any alpha,omega-dicarboxylic acid. | 2.94 | 4 | 0 | malonyl-CoAs | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite |
nadp
[no description available] | 2.45 | 2 | 0 | | |
piperidines
Piperidines: A family of hexahydropyridines. | 2.01 | 1 | 0 | | |