Substance | Relationship Strength | Studies | Trials | Classes | Roles |
adenine [no description available] | 3.08 | 1 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
benzaldehyde [no description available] | 1.97 | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
benzene [no description available] | 3.06 | 4 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
2-cresol 2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. | 2.43 | 2 | 0 | cresol | human xenobiotic metabolite |
hippuric acid hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl. | 2.42 | 2 | 0 | N-acylglycine | human blood serum metabolite; uremic toxin |
pentachlorophenol PENTA: structure given in first source | 1.96 | 1 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
pyrazole 1H-pyrazole : The 1H-tautomer of pyrazole. | 1.96 | 1 | 0 | pyrazole | |
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 3.67 | 9 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
pentetic acid Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium. | 2 | 1 | 0 | pentacarboxylic acid | copper chelator |
probenecid Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.. probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups. | 1.96 | 1 | 0 | benzoic acids; sulfonamide | uricosuric drug |
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. | 3.08 | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
dimethylnitrosamine Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents. | 1.97 | 1 | 0 | nitrosamine | geroprotector; mutagen |
thiophenol thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group. | 2.01 | 1 | 0 | aryl thiol | |
benzyl acetate benzyl acetate : The acetate ester of benzyl alcohol. | 1.96 | 1 | 0 | acetate ester; benzyl ester | metabolite |
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 5.77 | 28 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
nitrosobenzylmethylamine nitrosobenzylmethylamine: structure | 1.97 | 1 | 0 | | |
dysprosium Dysprosium: An element of the rare earth family that has the atomic symbol Dy, atomic number 66, and atomic weight 162.50. Dysprosium is a silvery metal used primarily in the form of various salts. | 2 | 1 | 0 | f-block element atom; lanthanoid atom | |
(2-methoxyethoxy)acetic acid (2-methoxyethoxy)acetic acid: a urinary biomarker; metabolite of 2-(2-methoxyethoxy)ethanol | 2.07 | 1 | 0 | | |
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.07 | 1 | 0 | benzenes; phenyl acetates | |
monobromobimane monobromobimane: fluorescent when reacted with thiol group; RN & N1 from CA Vol 91 Form Index; inhibits platelet calcium-dependent protease activity & the ability of dibucaine-stimulated platelets to support factor X activation; structure in first source. monobromobimane : A pyrazolopyrazole that consists of 1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione bearing three methyl substituents at positions 2, 5 and 6 as well as a bromomethyl substituent at the 3-position. | 2 | 1 | 0 | organobromine compound; pyrazolopyrazole | fluorochrome |
3-nitrotyrosine 3-nitrotyrosine: RN given refers to parent cpd without isomeric designation. 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring. | 3.08 | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.21 | 1 | 0 | cyclodextrin | |
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. | 1.98 | 1 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
sorbic acid Sorbic Acid: Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses.. (2E,4E)-hexa-2,4-dienoic acid : A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity.. sorbic acid : A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. | 2.02 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
s-phenyl-n-acetylcysteine S-phenyl-N-acetylcysteine: found in urine of rats exposed to benzene; RN given refers to (L)-isomer; RN for cpd without isomeric designation not available 4/88 | 3.84 | 11 | 0 | aryl sulfide; S-substituted N-acetyl-L-cysteine | biomarker; human urinary metabolite |
zinostatin Zinostatin: An enediyne that alkylates DNA and RNA like MITOMYCIN does, so it is cytotoxic. | 2.01 | 1 | 0 | | |
muconic acid muconic acid: a metabolite of benzene; reported to be a reliable indicator of occupational exposure to benzene; structure given in first source. trans,trans-muconic acid : The trans,trans-isomer of muconic acid. It is metabolite of benzene in humans and serves as a biomarker of occupational exposure to benzene.. muconic acid : A hexadienedioic acid with unsaturation at positions 2 and 4. | 2.02 | 1 | 0 | muconic acid | biomarker; human xenobiotic 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. | 2.33 | 2 | 0 | cysteinium | fundamental metabolite |
abscisic acid Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold. | 2.6 | 1 | 0 | 2-trans-abscisic acid | |