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CHEBI:194360 - N-acetyl-S-benzyl-L-cysteine

ChEBI IDCHEBI:194360
ChEBI NameN-acetyl-S-benzyl-L-cysteine
Stars
ASCII NameN-acetyl-S-benzyl-L-cysteine
DefinitionThe S-benzyl derivative of N-acetyl-L-cysteine.
Secondary ChEBI IDCHEBI:165854
Last Modified10 February 2023
SubmitterAdnan, MetaboLights
DownloadsMolfile
FormulaC12H15NO3S
Net Charge0
Average Mass253.323
Monoisotopic Mass253.07726
SMILESCC(=O)N[C@@H](CSCc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1
InChIKeyBJUXDERNWYKSIQ-NSHDSACASA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Urine (NCIT:C13283) PubMed (8207937)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-S-benzyl-L-cysteine (CHEBI:194360) has role human urinary metabolite (CHEBI:84087)
N-acetyl-S-benzyl-L-cysteine (CHEBI:194360) has role rat metabolite (CHEBI:86264)
N-acetyl-S-benzyl-L-cysteine (CHEBI:194360) is a S-substituted N-acetyl-L-cysteine (CHEBI:47911)
N-acetyl-S-benzyl-L-cysteine (CHEBI:194360) is a organic sulfide (CHEBI:16385)
N-acetyl-S-benzyl-L-cysteine (CHEBI:194360) is conjugate acid of N-acetyl-S-benzyl-L-cysteine(1−) (CHEBI:194342)
Incoming Relation(s)
N-acetyl-S-benzyl-L-cysteine(1−) (CHEBI:194342) is conjugate base of N-acetyl-S-benzyl-L-cysteine (CHEBI:194360)
IUPAC Name 
N-acetyl-S-benzyl-L-cysteine
Synonyms  Source
(2R)-2-acetamido-3-benzylsulfanylpropanoic acidChEBI
(2R)-2-acetamido-3-(benzylsulfanyl)propanoic acidIUPAC
benzylmercapturic acidChEBI
S-benzylmercapturic acidChEBI
(R)-2-acetamido-3-(benzylthio)propanoic acidChEBI
S-benzyl-(R)-mercapturic acidChEBI
Manual XrefsDatabases
96963ChemSpider
Benzylmercapturic_acidWikipedia
Registry NumbersSources
CAS:19542-77-9ChemIDplus
Citations