| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ethylene dichloride
ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2. | 2.03 | 1 | 0 | chloroethanes | hepatotoxic agent;
mutagen;
non-polar solvent |
2,4-diaminobutyric acid
2,4-diaminobutyric acid: RN given refers to parent cpd without isomeric designation. 2,4-diaminobutyric acid : A diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups. | 2.49 | 2 | 0 | diamino acid;
gamma-amino acid;
non-proteinogenic alpha-amino acid | |
spermidine
[no description available] | 2.31 | 1 | 0 | polyazaalkane;
triamine | autophagy inducer;
fundamental metabolite;
geroprotector |
dibutyl phthalate
Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. | 2.15 | 1 | 0 | diester;
phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent |
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. | 2.02 | 1 | 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 |
galactose
galactopyranose : The pyranose form of galactose. | 2.49 | 2 | 0 | D-galactose;
galactopyranose | Escherichia coli metabolite;
mouse metabolite |
ornithine
Ornithine: An amino acid produced in the urea cycle by the splitting off of urea from arginine.. ornithine : An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. | 2.25 | 1 | 0 | non-proteinogenic L-alpha-amino acid;
ornithine | algal metabolite;
hepatoprotective agent;
mouse metabolite |
1,1,1-trichloroethane
Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1. | 2.03 | 1 | 0 | chloroethanes | polar solvent |
1,1,2-trichloroethane
1,1,2-trichloroethane: RN given refers to cpd with locants as specified. 1,1,2-trichloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2. | 2.03 | 1 | 0 | chloroethanes | |
taurocholic acid
Taurocholic Acid: The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.. taurocholate : An organosulfonate oxoanion that is the conjugate base of taurocholic acid.. taurocholic acid : A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals. | 2.05 | 1 | 0 | amino sulfonic acid;
bile acid taurine conjugate | human metabolite |
chlorobenzene
[no description available] | 2.05 | 1 | 0 | monochlorobenzenes | solvent |
limestone
Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3. | 3.25 | 5 | 0 | calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound | antacid;
fertilizer;
food colouring;
food firming agent |
2-hydroxyacetanilide
2-acetamidophenol : A member of the class of phenols that is 2-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. A positional isomer of paracetamol which possesses anti-inflammatory, anti-arthritic and anti-platelet aggregation properties. | 1.99 | 1 | 0 | acetamides;
phenols | anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite |
manganese
Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4. | 2.58 | 2 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
mercury
Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero. | 2.25 | 1 | 0 | elemental mercury;
zinc group element atom | neurotoxin |
cadmium
Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common. | 2.21 | 1 | 0 | cadmium molecular entity;
zinc group element atom | |
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 2.03 | 1 | 0 | diatomic chlorine;
gas molecular entity | bleaching agent |
glutamic acid
Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. | 2.02 | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
nigericin
Nigericin: A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. (From Merck Index, 11th ed). nigericin : A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. | 2.21 | 1 | 0 | polycyclic ether | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
potassium ionophore |
ethyl 2-cyanoacrylate
ethyl 2-cyanoacrylate: RN given refers to monomer | 2.72 | 3 | 0 | | |
glycidyl nitrate
glycidyl nitrate: a nitric oxide donor; structure in first source. peptidoglycan : A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids. | 6.54 | 165 | 0 | | |
1-phenazinecarboxylic acid
1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source. phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. | 2.08 | 1 | 0 | aromatic carboxylic acid;
monocarboxylic acid;
phenazines | antifungal agent;
antimicrobial agent;
bacterial metabolite |
arabinose
[no description available] | 2.49 | 2 | 0 | L-arabinose | Escherichia coli metabolite;
mouse metabolite |
diaminopimelic acid
Diaminopimelic Acid: A diamino derivative of heptanedioic acid with amino groups at C-2 and C-6 and the general formula (COOH)CH(NH2)CH2CH2CH2CH(NH2)(COOH).. LL-2,6-diaminopimelic acid : A 2,6-diaminopimelic acid in which both chiral centres have S configuration. It is a component of bacterial cell wall. | 6.92 | 237 | 0 | 2,6-diaminopimelic acid;
amino acid zwitterion | Escherichia coli metabolite |
cellulase
Cellulase: An endocellulase with specificity for the hydrolysis of 1,4-beta-glucosidic linkages in CELLULOSE, lichenin, and cereal beta-glucans.. beta-cellotriose : A cellotriose with a beta-configuration at the anomeric position. | 2.69 | 2 | 0 | cellotriose | |
ubiquinone q2
Ubiquinone Q2: interacts with iron atom to form acceptor quinone complex; RN given refers to cpd with unspecified isomeric designation | 2.11 | 1 | 0 | ubiquinones | |
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. | 4.41 | 8 | 0 | | |
vitamin k1 oxide
vitamin K1 oxide: RN given refers to parent cpd; see also record for 2,3-epoxymenaquinone | 1.98 | 1 | 0 | | |
amphotericin b
Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections. | 2.15 | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
menatetrenone
menaquinone-4 : A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. | 4.02 | 5 | 0 | menaquinone | anti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent |
ubiquinone 8
[no description available] | 2.05 | 1 | 0 | ubiquinones | biomarker |
menaquinone 6
menaquinone 6: RN given refers to (all-E)-isomer | 8.38 | 417 | 0 | | |
vitamin k 1
Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.. phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. | 4 | 5 | 0 | phylloquinones;
vitamin K | cofactor;
human metabolite;
plant metabolite |
menaquinone 7
menaquinone-7 : A menaquinone whose side-chain contains seven isoprene units in an all-trans-configutation. | 2.25 | 1 | 0 | menaquinone | bone density conservation agent;
cofactor;
Escherichia coli metabolite;
human blood serum metabolite;
Mycoplasma genitalium metabolite |
lasalocid
Lasalocid: Cationic ionophore antibiotic obtained from Streptomyces lasaliensis that, among other effects, dissociates the calcium fluxes in muscle fibers. It is used as a coccidiostat, especially in poultry.. lasalocid : A polyether antibiotic used for prevention and treatment of coccidiosis in poultry. | 2.25 | 1 | 0 | beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol | bacterial metabolite;
coccidiostat;
ionophore |
sulfur
Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine. | 2.11 | 1 | 0 | chalcogen;
nonmetal atom | macronutrient |
vitamin mk 8
vitamin MK 8: isoprenoid acetone-soluble lipid. menaquinone-8 : A menaquinone whose side-chain contains 8 isoprene units in an all-trans-configuration. | 4.19 | 15 | 0 | menaquinone | Escherichia coli metabolite;
human metabolite |
dimyristoylphosphatidylcholine
1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl). | 2.25 | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 28:0;
tetradecanoate ester | antigen;
mouse metabolite |
phosphorus
Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions. | 2.08 | 1 | 0 | monoatomic phosphorus;
nonmetal atom;
pnictogen | macronutrient |
staurosporine
staurosporinium : Conjugate acid of staurosporine. | 2.07 | 1 | 0 | ammonium ion derivative | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2.08 | 1 | 0 | glycoside | |
phosphatidylcholines
Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety. | 2.11 | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
ubiquinone
Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals. | 2.48 | 2 | 0 | | |
peptones
Peptones: Derived proteins or mixtures of cleavage products produced by the partial hydrolysis of a native protein either by an acid or by an enzyme. Peptones are readily soluble in water, and are not precipitable by heat, by alkalis, or by saturation with ammonium sulfate. (Dorland, 28th ed) | 2.03 | 1 | 0 | | |
glycolipids
[no description available] | 5.06 | 36 | 0 | | |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 1.98 | 1 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
ikarugamycin
ikarugamycin: structure given in first source; an antiprotozoal antibiotic isolated from Streptomyces phaeochromogenes ikaruganensis; inhibits the uptake of oxidized LDL in macrophage J774. ikarugamycin : A polyketide macrolactam containing a tetramic acid (pyrrolidine-2,4-dione) ring system. It is isolated from Streptomyces as an antibiotic with antiprotozoal and cytotoxic activities. | 2.08 | 1 | 0 | | |
bromfenacoum
[no description available] | 1.99 | 1 | 0 | benzenes;
naphthalenes;
ring assembly | |
a 40926
A 40926: from Actinomadura; active against gram-positive bacteria & Neisseria gonorrhoeae | 2.13 | 1 | 0 | | |
semduramicin
semduramicin: structure given in first source; carboxylic acid ionophore for management of chicken coccidiosis | 2.21 | 1 | 0 | | |