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CHEBI:133529 - dopamine 4-O-sulfate zwitterion

ChEBI IDCHEBI:133529
ChEBI Namedopamine 4-O-sulfate zwitterion
Stars
ASCII Namedopamine 4-O-sulfate zwitterion
DefinitionA zwitterion obtained by transfer of a proton from the sulfonyl to the amino group of dopamine 4-O-sulfate; major species at pH 7.3.
Last Modified14 June 2021
SubmitterSteve
DownloadsMolfile
FormulaC8H11NO5S
Net Charge0
Average Mass233.245
Monoisotopic Mass233.03579
SMILES[NH3+]CCc1ccc(OS(=O)(=O)[O-])c(O)c1
InChIInChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
InChIKeyDEKNNWJXAQTLFA-UHFFFAOYSA-N
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
dopamine 4-O-sulfate zwitterion (CHEBI:133529) has role human blood serum metabolite (CHEBI:85234)
dopamine 4-O-sulfate zwitterion (CHEBI:133529) has role human urinary metabolite (CHEBI:84087)
dopamine 4-O-sulfate zwitterion (CHEBI:133529) is a zwitterion (CHEBI:27369)
dopamine 4-O-sulfate zwitterion (CHEBI:133529) is tautomer of dopamine 4-O-sulfate (CHEBI:34729)
Incoming Relation(s)
dopamine 4-O-sulfate (CHEBI:34729) is tautomer of dopamine 4-O-sulfate zwitterion (CHEBI:133529)
IUPAC Name 
4-(2-azaniumylethyl)-2-hydroxyphenyl sulfate
Synonyms  Source
dopamine 4-sulfate zwitterionChEBI
dopamine 4-monosulfate zwitterionChEBI
UniProt Name  Source
dopamine 4-O-sulfateUniProt