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CHEBI:133709 - 3-methoxytyramine sulfate zwitterion

ChEBI IDCHEBI:133709
ChEBI Name3-methoxytyramine sulfate zwitterion
Stars
DefinitionA zwitterion obtained by transfer of a proton from the sulfate to the amino group of 3-methoxytyramine sulfate; major species at pH 7.3.
Last Modified10 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC9H13NO5S
Net Charge0
Average Mass247.272
Monoisotopic Mass247.05144
SMILESCOc1cc(CC[NH3+])ccc1OS(=O)(=O)[O-]
InChIInChI=1S/C9H13NO5S/c1-14-9-6-7(4-5-10)2-3-8(9)15-16(11,12)13/h2-3,6H,4-5,10H2,1H3,(H,11,12,13)
InChIKeyORZHQEJEAKXCJA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-methoxytyramine sulfate zwitterion (CHEBI:133709) is a zwitterion (CHEBI:27369)
3-methoxytyramine sulfate zwitterion (CHEBI:133709) is tautomer of 3-methoxytyramine sulfate (CHEBI:133708)
Incoming Relation(s)
3-methoxytyramine sulfate (CHEBI:133708) is tautomer of 3-methoxytyramine sulfate zwitterion (CHEBI:133709)
IUPAC Name 
4-(2-azaniumylethyl)-2-methoxyphenyl sulfate