| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
adenine
[no description available] | 1.97 | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2 | 1 | 0 | azane;
gas molecular entity;
mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant |
cytosine
[no description available] | 2.37 | 2 | 0 | aminopyrimidine;
pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
glyceric acid
glyceric acid: found in urine of patient with D-glyceric acidemia & hyperglycinaemia; RN given refers to parent cpd without isomeric designation. glycerol ether : Any ether having glyceryl as at least one of the O-substituents.. glyceric acid : A trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups. | 1.97 | 1 | 0 | trionic acid | fundamental metabolite |
hydrogen
Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond. | 2.03 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
purine
1H-purine : The 1H-tautomer of purine.. 3H-purine : The 3H-tautomer of purine.. 9H-purine : The 9H-tautomer of purine.. 7H-purine : The 7H-tautomer of purine. | 2.04 | 1 | 0 | purine | |
thymine
[no description available] | 2.48 | 2 | 0 | pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
uracil
2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | 2.02 | 1 | 0 | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
1,10-phenanthroline
1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | 2.02 | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
mercaptoethanol
Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation. | 2 | 1 | 0 | alkanethiol;
primary alcohol | geroprotector |
diphenyleneiodonium
diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor. dibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine. | 2.05 | 1 | 0 | organic cation | |
benzophenone
benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | 2.04 | 1 | 0 | benzophenones | photosensitizing agent;
plant metabolite |
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 2.06 | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
thymidine
[no description available] | 2.44 | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
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 |
edetic acid
Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | 2.05 | 1 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
2-furoic acid
2-furoic acid: RN given refers to parent cpd. furoic acid : A monocarboxylic acid that consists of a furan ring having a single carboxylic acid group on any ring position and derivatives thereof.. 2-furoic acid : A furoic acid having the carboxylic acid group located at position 2. | 2.06 | 1 | 0 | furoic acid | bacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae 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. | 4 | 4 | 0 | butan-4-olide | metabolite;
neurotoxin |
furaldehyde
Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | 2.45 | 2 | 0 | aldehyde;
furans | Maillard reaction product;
metabolite |
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 2.46 | 2 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
dimethylethylenediamine
dimethylethylenediamine: structure in first source | 2 | 1 | 0 | | |
piperidine
[no description available] | 2 | 1 | 0 | azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine | base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent |
maltol
maltol: found in bark of young larch trees; isolated from Passiflora incarnata; possesses depressant properties in mice; potentiates hexobarbital-induced narcosis & inhibits spontaneous motor activity; structure | 2.06 | 1 | 0 | 4-pyranones | metabolite |
butenolide
butenolide: inhibits experimental allergic encephalomyelitis in rats. butenolide : A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives. | 3.52 | 2 | 0 | butenolide | |
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. | 2.03 | 1 | 0 | dialdehyde | biomarker |
deoxycytidine
[no description available] | 2.68 | 3 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
deoxyuridine
[no description available] | 2.43 | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
thymine glycol
thymine glycol: forms photodimers (thymine dimers) under UV; RN given refers to cpd without isomeric designation | 2.25 | 1 | 0 | hydroxypyrimidine | |
misonidazole
Misonidazole: A nitroimidazole that sensitizes normally radio-resistant hypoxic cells to radiation. It may also be directly cytotoxic to hypoxic cells and has been proposed as an antineoplastic. | 2 | 1 | 0 | | |
gemcitabine
gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. | 2.05 | 1 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
protoanemonin
protoanemonin: a furanone found in RANUNCULACEAE plants; structure given in first source; has antifungal & antibiotic properties; ranunculine is hydrolyzed to protoanemonin which dimerizes to anemonin | 2.02 | 1 | 0 | butenolide | |
1,7-phenanthroline
[no description available] | 2.42 | 2 | 0 | phenanthroline | |
5-iodouracil
5-iodouracil: RN given refers to parent cpd. 5-iodouracil : An organoiodine compound consisting of uracil having an iodo substituent at the 5-position. | 2.02 | 1 | 0 | organoiodine compound | antimetabolite |
3,4-dihydroxybutanoic acid gamma-lactone
3-hydroxy-gamma-butyrolactone: structure in first source | 3.77 | 3 | 0 | | |
fe(ii)-edta
Fe(II)-EDTA: RN given refers to parent cpd | 2.05 | 1 | 0 | iron coordination entity | |
clofarabine
[no description available] | 2.05 | 1 | 0 | adenosines;
organofluorine compound | antimetabolite;
antineoplastic agent |
maculosin
maculosin: RN refers to (3S-trans)-isomer; isolated from Alternaria alternata; structure given in first source. maculosin : A homodetic cyclic peptide that is a dipeptide composed of L-proline and L-tyrosine joined by peptide linkages. | 2.06 | 1 | 0 | dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine | metabolite |
disiloxane
[no description available] | 2 | 1 | 0 | siloxane | |
bis(1,10-phenanthroline)copper(2+) ion
bis(1,10-phenanthroline)copper(2+) ion: RN given refers to (Cu+2) cation | 2.02 | 1 | 0 | | |
3,4-dihydroxybutanoic acid
3,4-dihydroxybutanoic acid: endogenous sugar acid from serum of fasted rates acting as satiety factor in rats; RN given refers to parent cpd. 3,4-dihydroxybutyric acid : A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively. | 1.97 | 1 | 0 | 3-hydroxy fatty acid;
omega-hydroxy-short-chain fatty acid | human metabolite |
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 2.44 | 2 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
perlolyrine
perlolyrine: structure given in first source | 2.06 | 1 | 0 | organic molecular entity | metabolite |
biotin
vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. | 2.02 | 1 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
cyclo(l-phe-l-pro)
[no description available] | 2.06 | 1 | 0 | organic molecular entity | metabolite |
neocarzinostatin chromophore
neocarzinostatin chromophore: nonprotein chromophore of neocarzinostatin; antibiotic activity of Neocarzinostatin depends on wholy on chromophore interaction with DNA; Chrom A & Chrom B are separated by HPLC; Chrom C is derived from Chrom A; Chrom D is inactive minor component. neocarzinostatin chromophore : A naphthoate ester obtained by formal condensation of the carboxy group of 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid with the 5-hydroxy group of (1aS,5R,6R,6aE,9aR)-5-hydroxy-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-6-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside. The chromophoric part of neocarzinostatin, it is tightly and non-covelently bound to a 113-membered apoprotein, which serves to protect it and release it to the target DNA. | 1.97 | 1 | 0 | cyclopentacyclononaoxirene;
D-galactosaminide;
dioxolane;
monosaccharide derivative;
naphthoate ester | antineoplastic agent |
glycosides
[no description available] | 2.42 | 2 | 0 | | |
tempo
TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively. | 2 | 1 | 0 | aminoxyls;
piperidines | catalyst;
ferroptosis inhibitor;
radical scavenger |
thymidine glycol
thymidine glycol: RN given refers to cpd without isomeric designation | 2.05 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | |
vitamin k semiquinone radical
vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. | 1.97 | 1 | 0 | | |
daidzein
[no description available] | 2.06 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
gamma-oryzanol
cycloartenyl ferulate: antinociceptive agent from rice bran; structure in first source | 2.06 | 1 | 0 | triterpenoid | |
zinostatin
Zinostatin: An enediyne that alkylates DNA and RNA like MITOMYCIN does, so it is cytotoxic. | 2.69 | 3 | 0 | | |
3',4',7-trihydroxyisoflavone
3',4',7-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first source. 3',4',7-trihydroxyisoflavone : A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'. | 2.06 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite |
flazin
flazin: structure given in first source | 2.06 | 1 | 0 | harmala alkaloid | metabolite |
deoxyribose
[no description available] | 4.22 | 5 | 0 | deoxypentose | human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
cysteine
Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. | 2.02 | 1 | 0 | cysteinium | fundamental metabolite |
cyclo(prolyl-valyl)
[no description available] | 2.06 | 1 | 0 | piperazinone | metabolite |
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 2.05 | 1 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
oligonucleotides
[no description available] | 3.72 | 10 | 0 | | |
piperidines
Piperidines: A family of hexahydropyridines. | 2 | 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. | 2.06 | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
deoxyguanosine
[no description available] | 2.47 | 2 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
guanine
[no description available] | 2.13 | 1 | 0 | 2-aminopurines;
oxopurine;
purine nucleobase | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
tirapazamine
Tirapazamine: A triazine derivative that introduces breaks into DNA strands in hypoxic cells, sensitizing tumor cells to the cytotoxic activity of other drugs and radiation.. tirapazamine : A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4. | 2.42 | 2 | 0 | aromatic amine;
benzotriazines;
N-oxide | antibacterial agent;
antineoplastic agent;
apoptosis inducer |
8-hydroxyguanine
7,8-dihydro-8-oxoguanine: was substituted for guanine at G(8), G(9), G(14), or G(15) in the human telomeric oligonucleotide 5'-d[AGGGTTAG(8)G(9)GTT AG(14)G(15)GTTAGGGTGT]-3'. 7,8-dihydro-8-oxoguanine : An oxopurine that is guanine in which the hydrogen at position 8 is replaced by an oxo group and in which the nitrogens at positions 7 and 9 each bear a hydrogen. | 2.13 | 1 | 0 | oxopurine | |
8-hydroxy-2'-deoxyguanosine
8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage. | 2.1 | 1 | 0 | guanosines | biomarker |