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CHEBI:133531 - tyramine sulfate zwitterion

ChEBI IDCHEBI:133531
ChEBI Nametyramine sulfate zwitterion
Stars
DefinitionA zwitterion obtained by transfer of a proton from the sulfate to the amino group of tyramine sulfate; major species at pH 7.3.
Last Modified10 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC8H11NO4S
Net Charge0
Average Mass217.246
Monoisotopic Mass217.04088
SMILES[NH3+]CCc1ccc(OS(=O)(=O)[O-])cc1
InChIInChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)
InChIKeyDYDUXGMDSXJQFT-UHFFFAOYSA-N
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
tyramine sulfate zwitterion (CHEBI:133531) has role human urinary metabolite (CHEBI:84087)
tyramine sulfate zwitterion (CHEBI:133531) has role human xenobiotic metabolite (CHEBI:76967)
tyramine sulfate zwitterion (CHEBI:133531) is a zwitterion (CHEBI:27369)
tyramine sulfate zwitterion (CHEBI:133531) is tautomer of tyramine sulfate (CHEBI:133530)
Incoming Relation(s)
tyramine sulfate (CHEBI:133530) is tautomer of tyramine sulfate zwitterion (CHEBI:133531)
IUPAC Name 
4-(2-azaniumylethyl)phenyl sulfate
Synonyms  Source
tyramine O-sulfate zwitterionChEBI
tyramine O-sulphate zwitterionChEBI
tyramine sulphate zwitterionChEBI