CHEBI:133435 - S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine

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ChEBI Name S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine ChEBI ID CHEBI:133435 ChEBI ASCII Name S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine Definition An S-substituted N-acetyl-L-cysteine in which the S-substitutuent is specified as 5-acetamido-2-hydroxyphenyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H16N2O5S Net Charge 0 Average Mass 312.343 Monoisotopic Mass 312.07799 InChI InChI=1S/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)/t10-/m0/s1 InChIKey DVPRQNKJGQEICH-JTQLQIEISA-N SMILES C=1(C=C(C=CC1O)NC(=O)C)SC[C@@H](C(O)=O)NC(=O)C Metabolite of Species Details Rattus norvegicus (NCBI:txid10116) See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): drug metabolite 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 S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) has functional parent paracetamol (CHEBI:46195) S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) has role drug metabolite (CHEBI:49103) S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) has role human urinary metabolite (CHEBI:84087) S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) has role rat metabolite (CHEBI:86264) S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) is a S-substituted N-acetyl-L-cysteine (CHEBI:47911) S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) is a acetamides (CHEBI:22160) S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) is a organic sulfide (CHEBI:16385) S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) is a phenols (CHEBI:33853) S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) is conjugate acid of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate (CHEBI:133438) Incoming S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate (CHEBI:133438) is conjugate base of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine (CHEBI:133435) IUPAC Name S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine Synonyms Sources 3-(N-acetyl-L-cystein-S-yl)acetaminophen ChEBI Acetaminophen mercapturate ChemIDplus acetaminophen mercapturic acid ChEBI acetaminophen N-acetyl-L-cysteine conjugate ChEBI N-acetyl-L-cysteine S-acetaminophen conjugate ChEBI N-acetyl-L-cysteine S-paracetamol conjugate ChEBI N-Acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine ChemIDplus paracetamol N-acetyl-L-cysteine conjugate ChEBI Registry Numbers Types Sources 52372-86-8 CAS Registry Number ChemIDplus 8395991 Reaxys Registry Number Reaxys Citations Types Sources 1440617 PubMed citation Europe PMC 2087153 PubMed citation Europe PMC 6833497 PubMed citation Europe PMC 7705777 PubMed citation Europe PMC Last Modified 27 September 2016