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CHEBI:133708 - 3-methoxytyramine sulfate

ChEBI IDCHEBI:133708
ChEBI Name3-methoxytyramine sulfate
Stars
DefinitionAn aryl sulfate that is 3-methoxytyramine in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified10 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC9H13NO5S
Net Charge0
Average Mass247.272
Monoisotopic Mass247.05144
SMILESCOc1cc(CCN)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
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-methoxytyramine sulfate (CHEBI:133708) has functional parent 3-methoxytyramine (CHEBI:1582)
3-methoxytyramine sulfate (CHEBI:133708) is a aryl sulfate (CHEBI:37919)
3-methoxytyramine sulfate (CHEBI:133708) is a monomethoxybenzene (CHEBI:25235)
3-methoxytyramine sulfate (CHEBI:133708) is a primary amino compound (CHEBI:50994)
3-methoxytyramine sulfate (CHEBI:133708) is tautomer of 3-methoxytyramine sulfate zwitterion (CHEBI:133709)
Incoming Relation(s)
3-methoxytyramine sulfate zwitterion (CHEBI:133709) is tautomer of 3-methoxytyramine sulfate (CHEBI:133708)
IUPAC Name 
4-(2-aminoethyl)-2-methoxyphenyl hydrogen sulfate
Registry NumbersSources
Reaxys:2741263Reaxys