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CHEBI:177963 - Acetaminophen cystein

ChEBI IDCHEBI:177963
ChEBI NameAcetaminophen cystein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14N2O3S
Net Charge0
Average Mass254.311
Monoisotopic Mass254.07251
SMILESCC(=O)Nc1ccc(SC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H14N2O3S/c1-7(14)13-8-2-4-9(5-3-8)17-6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChIKeyZOZXXYPCOKGXOE-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) MetaboLights (MTBLS3247)
ChEBI Ontology
Outgoing Relation(s)
Acetaminophen cystein (CHEBI:177963) is a S-conjugate (CHEBI:64987)
IUPAC Name 
(2R)-3-(4-acetamidophenyl)sulanyl-2-aminopropanoic acid
Manual XrefsDatabases
HMDB0060559HMDB
75789ChemSpider
Registry NumbersSources
CAS:64014-06-8ChemIDplus