| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
keto-pantoyllactone
[no description available] | 3.46 | 7 | 0 | tetrahydrofurandione | |
alpha-ketoisovalerate
alpha-ketoisovalerate: RN given refers to parent cpd. 3-methyl-2-oxobutanoate : A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxobutanoic acid, arising from deprotonation of the carboxy group.. 3-methyl-2-oxobutanoic acid : A 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid. | 1.98 | 1 | 0 | 2-oxo monocarboxylic acid;
branched-chain keto acid | human metabolite;
Saccharomyces cerevisiae metabolite |
beta-alanine
[no description available] | 1.98 | 1 | 0 | amino acid zwitterion;
beta-amino acid | agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter |
carbamates
[no description available] | 2.1 | 1 | 0 | amino-acid anion | |
formic acid
formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. | 1.99 | 1 | 0 | monocarboxylic acid | antibacterial agent;
astringent;
metabolite;
protic solvent;
solvent |
trimetaphosphoric acid
trimetaphosphoric acid: RN given refers to parent cpd; structure. cyclotriphosphoric acid : The cyclic anhydride of triphosphoric acid. | 1.99 | 1 | 0 | cyclic phosphorus acid anhydride;
inorganic heterocyclic compound;
phosphorus oxoacid | |
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 1.99 | 1 | 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 |
glycine
[no description available] | 1.98 | 1 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
hydrogen cyanide
Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.. hydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom | 1.99 | 1 | 0 | hydracid;
one-carbon compound | Escherichia coli metabolite;
human metabolite;
poison |
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 1.99 | 1 | 0 | imidazole | |
triphosphoric acid
triphosphoric acid: used as water softener, peptizing agent, emulsifier & dispersing agent; ingredient of cleansers; meat preservative; RN given refers to parent cpd; structure | 1.99 | 1 | 0 | acyclic phosphorus acid anhydride;
phosphorus oxoacid | |
propylene glycol
Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. | 2.07 | 1 | 0 | glycol;
propane-1,2-diols | allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent |
fenofibrate
Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE | 2.21 | 1 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
2-propanol
2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. | 2.1 | 1 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
methenamine
Methenamine: An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173). hexamethylenetetramine : A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. | 1.99 | 1 | 0 | polyazaalkane;
polycyclic cage;
tetramine | antibacterial drug |
methyl methanesulfonate
[no description available] | 1.96 | 1 | 0 | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen |
fluoroacetic acid
fluoroacetic acid: N1 same as NM; RN given refers to parent cpd. fluoroacetic acid : A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine. | 2.01 | 1 | 0 | haloacetic acid;
organofluorine compound | EC 4.2.1.3 (aconitate hydratase) inhibitor |
hydroxyproline
Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group. | 3.1 | 1 | 0 | 4-hydroxyproline;
L-alpha-amino acid zwitterion | human metabolite;
mouse metabolite;
plant metabolite |
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. | 2.67 | 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 |
aspartic acid
Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid. | 1.95 | 1 | 0 | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter |
glutamine
Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. | 2.4 | 2 | 0 | amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
cysteamine
Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2. | 1.98 | 1 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
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. | 2.7 | 3 | 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 |
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. | 2.02 | 1 | 0 | L-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 |
isobutyraldehyde
isobutyraldehyde : A member of the class of propanals that is propanal substituted by a methyl group at position 2. | 1.98 | 1 | 0 | 2-methyl-branched fatty aldehyde;
propanals | Saccharomyces cerevisiae metabolite |
pantothenic acid
Pantothenic Acid: A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.. pantothenic acid : A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.. vitamin B5 : Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms.. (R)-pantothenate : A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.. (R)-pantothenic acid : A pantothenic acid having R-configuration. | 4.51 | 7 | 0 | pantothenic acid;
vitamin B5 | antidote to curare poisoning;
geroprotector;
human blood serum metabolite |
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 7.19 | 47 | 0 | butan-4-olide | metabolite;
neurotoxin |
ethyl lactate
ethyl lactate: RN given refers to cpd with unspecified isomeric designation. ethyl 2-hydroxypropanoate : The ethyl ester obtained of 2-hydroxypropanoic acid. | 2.1 | 1 | 0 | ethyl ester;
lactate ester;
secondary alcohol | metabolite |
1-phenethylamine
1-phenethylamine: RN given refers to cpd without isomeric designation. 1-phenylethylamine : A phenylethylamine that is ethylamine substituted by a phenyl group at position 1. | 1.93 | 1 | 0 | phenylethylamine | human metabolite |
2-methylpentane
Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 2.1 | 1 | 0 | alkane | |
3-hydroxybutanal
[no description available] | 2.48 | 2 | 0 | | |
acetic anhydride
acetic anhydride: RN given refers to unlabeled cpd; structure. acetic anhydride : An acyclic carboxylic anhydride derived from acetic acid. | 1.99 | 1 | 0 | acyclic carboxylic anhydride | metabolite;
reagent |
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. | 1.99 | 1 | 0 | cyclic dicarboxylic anhydride;
furans | allergen |
n-pentanoic acid
n-pentanoic acid: RN given refers to unlabeled parent cpd. valeric acid : A straight-chain saturated fatty acid containing five carbon atoms. | 1.92 | 1 | 0 | short-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
n-hexane
hexane : An unbranched alkane containing six carbon atoms. | 2.1 | 1 | 0 | alkane;
volatile organic compound | neurotoxin;
non-polar solvent |
benzoin
[no description available] | 2.1 | 1 | 0 | benzoins;
secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor |
thiocyanate
thiocyanate: RN given refers to parent cpd. thiocyanate : A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid. | 1.99 | 1 | 0 | pseudohalide anion;
sulfur molecular entity | human metabolite |
cyanogen
cyanogen: structure. oxalonitrile : A dinitrile that is ethane substituted by two cyano groups. | 1.99 | 1 | 0 | dinitrile;
pseudohalogen | |
vinyl bromide
vinyl bromide: structure | 2.02 | 1 | 0 | bromoalkene;
monohaloethene | |
methyl mandelate
methyl mandelate: RN given for (DL)-isomer; structure in first source | 2.1 | 1 | 0 | benzenes | |
coenzyme a
[no description available] | 2.69 | 3 | 0 | adenosine 3',5'-bisphosphate | coenzyme;
Escherichia coli metabolite;
mouse metabolite |
dexpanthenol
dexpanthenol: The alcohol of pantothenic acid | 7.41 | 1 | 0 | amino alcohol;
monocarboxylic acid amide | cholinergic drug;
provitamin |
lyxose
D-lyxose : Any lyxose having D-configuration.. D-lyxopyranose : The pyranose form of D-lyxose. | 2.05 | 1 | 0 | D-lyxose | |
pantoic acid
pantoic acid: RN given refers to cpd without isomeric designation | 8.21 | 6 | 0 | pantoic acid | |
pantetheine
Pantetheine: An intermediate in the pathway of coenzyme A formation in mammalian liver and some microorganisms.. pantetheine : An amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine. | 1.98 | 1 | 0 | pantetheines;
thiol | human metabolite;
metabolite;
mouse metabolite |
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 1.98 | 1 | 0 | cyclodextrin | |
epothilone a
Epothilones: A group of 16-member MACROLIDES which stabilize MICROTUBULES in a manner similar to PACLITAXEL. They were originally found in the myxobacterium Sorangium cellulosum, now renamed to Polyangium (MYXOCOCCALES). | 2.94 | 1 | 0 | epothilone;
epoxide | antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator |
pyrophosphate
Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups. | 1.99 | 1 | 0 | diphosphate ion | |
nadp
[no description available] | 3.15 | 5 | 0 | | |
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid
4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid : A tetrahydrofuranone that is tetrahydrofuran substituted by octyl, carboxy, methylidene, and oxo groups at positions 2, 3, 4 and 5, respectively. | 2.21 | 1 | 0 | gamma-lactone;
monocarboxylic acid;
tetrahydrofuranone | |
ixabepilone
[no description available] | 2.94 | 1 | 0 | 1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle | antineoplastic agent;
microtubule-destabilising agent |
cholanic acid
cholanic acid: RN given refers to parent cpd without isomer designation. cholanic acid : A steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24.. colanic acid : A polyanionic heteropolysaccharide containing a repeat unit with D-glucose, L-fucose, D-galactose, and D-glucuronic acid sugars that are non-stoichiometrically decorated with O-acetyl and pyruvate side-chains | 1.96 | 1 | 0 | cholanic acids | |
cyanolide a
cyanolide A: molluscicidal from the Papua New Guinea cyanobacterium Lyngbya bouillonii; structure in first source | 7.06 | 1 | 0 | | |