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CHEBI:157784 - s-Phenylmercapturic acid

ChEBI IDCHEBI:157784
ChEBI Names-Phenylmercapturic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NO3S
Net Charge0
Average Mass239.296
Monoisotopic Mass239.06161
SMILESCC(=O)NC(CSc1ccccc1)C(=O)O
InChIInChI=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)
InChIKeyCICOZWHZVMOPJS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
s-Phenylmercapturic acid (CHEBI:157784) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-acetamido-3-phenylsulanylpropanoic acid
Manual XrefsDatabases
HMDB0042011HMDB
86220ChemSpider
Registry NumbersSources
CAS:20640-68-0ChemIDplus