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

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ChEBI Name N-acetyl-S-benzyl-L-cysteine ChEBI ID CHEBI:194360 ChEBI ASCII Name N-acetyl-S-benzyl-L-cysteine Definition The S-benzyl derivative of N-acetyl-L-cysteine. Stars This entity has been manually annotated by the ChEBI Team. Submitter MetaboLights Secondary ChEBI IDs CHEBI:165854 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C12H15NO3S Net Charge 0 Average Mass 253.320 Monoisotopic Mass 253.07726 InChI InChI=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 InChIKey BJUXDERNWYKSIQ-NSHDSACASA-N SMILES CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in Urine (NCIT:C13283). See: PubMed Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources (2R)-2-acetamido-3-(benzylsulfanyl)propanoic acid IUPAC (2R)-2-acetamido-3-benzylsulfanylpropanoic acid ChEBI (R)-2-acetamido-3-(benzylthio)propanoic acid ChEBI benzylmercapturic acid ChEBI N-acetyl-S-(phenylmethyl)-L-cysteine ChEBI N-acetyl-S-benzylcysteine ChEBI S-benzyl-(R)-mercapturic acid ChEBI S-benzyl-N-acetyl-L-cysteine ChEBI S-benzyl-N-acetylcysteine ChEBI S-benzylmercapturic acid ChEBI Manual Xrefs Databases 96963 ChemSpider Benzylmercapturic_acid Wikipedia View more database links Registry Number Type Source 19542-77-9 CAS Registry Number ChemIDplus Citations Types Sources 10771747 PubMed citation Europe PMC 12054357 PubMed citation Europe PMC 1522704 PubMed citation Europe PMC 18886139 PubMed citation Europe PMC 18938819 PubMed citation Europe PMC 35716574 PubMed citation Europe PMC 3751109 PubMed citation Europe PMC 8207937 PubMed citation Europe PMC 8311692 PubMed citation Europe PMC Last Modified 10 February 2023