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CHEBI:180558 - 3-Cysteinylacetaminophen

ChEBI IDCHEBI:180558
ChEBI Name3-Cysteinylacetaminophen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14N2O4S
Net Charge0
Average Mass270.310
Monoisotopic Mass270.06743
SMILESCC(=O)Nc1ccc(O)c(SC[C@H](N)C(=O)O)c1
InChIInChI=1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/t8-/m0/s1
InChIKeyLLHICPSCVFRWDT-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
3-Cysteinylacetaminophen (CHEBI:180558) is a S-conjugate (CHEBI:64987)
IUPAC Name 
(2R)-3-(5-acetamido-2-hydroxyphenyl)sulanyl-2-aminopropanoic acid
Manual XrefsDatabases
HMDB0240217HMDB
149727ChemSpider
Registry NumbersSources
CAS:53446-10-9ChemIDplus