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

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ChEBI Name S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion
ChEBI ID CHEBI:133067
ChEBI ASCII Name S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H14N2O4S
Net Charge 0
Average Mass 270.306
Monoisotopic Mass 270.06743
InChI InChI=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)
InChIKey LLHICPSCVFRWDT-UHFFFAOYSA-N
SMILES C=1(C=C(C=CC1O)NC(=O)C)SCC(C([O-])=O)[NH3+]
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 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 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 Sources
3-(cystein-S-yl)acetaminophen zwitterion ChEBI
3-(cystein-S-yl)paracetamol zwitterion ChEBI
acetaminophen cysteine conjugate zwitterion ChEBI
cysteine S-acetaminophen conjugate zwitterion ChEBI
cysteine S-paracetamol conjugate zwitterion ChEBI
paracetamol cysteine conjugate zwitterion ChEBI
Last Modified
18 August 2016