CHEBI:133708 - 3-methoxytyramine sulfate

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ChEBI Name 3-methoxytyramine sulfate
ChEBI ID CHEBI:133708
Definition An aryl sulfate that is 3-methoxytyramine in which the phenolic hydrogen has been replaced by a sulfo group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H13NO5S
Net Charge 0
Average Mass 247.270
Monoisotopic Mass 247.05144
InChI InChI=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)
InChIKey ORZHQEJEAKXCJA-UHFFFAOYSA-N
SMILES C(CC=1C=C(C(=CC1)OS(O)(=O)=O)OC)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 3-methoxytyramine sulfate zwitterion (CHEBI:133709) is tautomer of 3-methoxytyramine sulfate (CHEBI:133708)
IUPAC Name
4-(2-aminoethyl)-2-methoxyphenyl hydrogen sulfate
Registry Number Type Source
2741263 Reaxys Registry Number Reaxys
Last Modified
10 October 2016