EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133067 - S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion

ChEBI IDCHEBI:133067
ChEBI NameS-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion
Stars
ASCII NameS-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion
DefinitionAn α-amino acid zwitterion that is S-(5-acetamido-2-hydroxyphenyl)cysteine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
Last Modified18 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC11H14N2O4S
Net Charge0
Average Mass270.310
Monoisotopic Mass270.06743
SMILESCC(=O)Nc1ccc(O)c(SCC([NH3+])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)
InChIKeyLLHICPSCVFRWDT-UHFFFAOYSA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion (CHEBI:133067) has role human xenobiotic metabolite (CHEBI:76967)
S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion (CHEBI:133067) is a α-amino-acid zwitterion (CHEBI:78608)
S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion (CHEBI:133067) is tautomer of S-(5-acetamido-2-hydroxyphenyl)cysteine (CHEBI:133066)
Incoming Relation(s)
S-(5-acetamido-2-hydroxyphenyl)cysteine (CHEBI:133066) is tautomer of S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion (CHEBI:133067)
IUPAC Name 
3-[(5-acetamido-2-hydroxyphenyl)sulfanyl]-2-azaniumylpropanoate
Synonyms  Source
3-(cystein-S-yl)paracetamol zwitterionChEBI
acetaminophen cysteine conjugate zwitterionChEBI
cysteine S-acetaminophen conjugate zwitterionChEBI
cysteine S-paracetamol conjugate zwitterionChEBI
paracetamol cysteine conjugate zwitterionChEBI
3-(cystein-S-yl)acetaminophen zwitterionChEBI