CAS 4775-80-8: Phenylmercapturic acid
Description:Phenylmercapturic acid, with the CAS number 4775-80-8, is a chemical compound that belongs to the class of mercapturic acids, which are conjugates of mercapturic acid and phenyl groups. This compound is characterized by its structure, which includes a phenyl group attached to a mercapturic acid moiety, typically formed through the conjugation of phenyl isothiocyanate with glutathione. It is a polar, water-soluble compound, which allows it to be excreted in urine, making it a useful biomarker for exposure to certain environmental toxins, particularly those related to aromatic compounds. Phenylmercapturic acid is often studied in toxicology and environmental health due to its role in the metabolism of xenobiotics. Its presence in biological samples can indicate exposure to specific chemicals, aiding in risk assessment and epidemiological studies. Additionally, it may exhibit varying degrees of biological activity, although its primary significance lies in its utility as a metabolic byproduct in detoxification pathways.
Formula:C11H13NO3S
InChI:InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChI key:InChIKey=CICOZWHZVMOPJS-JTQLQIEISA-N
SMILES:O=C(O)C(NC(=O)C)CSC=1C=CC=CC1
- Synonyms:
- (2R)-2-(acetylamino)-3-(phenylsulfanyl)propanoate
- (2R)-2-Acetamido-3-(phenylsulfanyl)propanoic acid
- (R)-2-Acetamido-3-(phenylthio)propanoic acid
- 2-Acetamido-3-phenylthiopropanoic acid
- <span class="text-smallcaps">L</span>-Cysteine, N-acetyl-S-phenyl-
- Alanine, N-acetyl-3-(phenylthio)-
- L-Cysteine, N-acetyl-S-phenyl-
- N-Acetyl-S-phenyl-<span class="text-smallcaps">L</span>-cysteine
- N-acetyl-S-phenyl-L-cysteine
- Nsc 17197
- See more synonyms
- Phenylmercapturic acid
- S-Phenyl-N-acetylcysteine
- S-Phenylmercapturic acid
- S-Phenylmercapturic acid
