CHEBI:166654 - 3-Hydroxycinnamate sulfate

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ChEBI Name 3-Hydroxycinnamate sulfate
ChEBI ID CHEBI:166654
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H8O6S
Net Charge 0
Average Mass 244.220
Monoisotopic Mass 244.00416
InChI InChI=1S/C9H8O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b5-4+
InChIKey YPXHXDXMTWPQTO-SNAWJCMRSA-N
SMILES S(OC=1C=C(C=CC1)/C=C/C(O)=O)(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Hydroxycinnamate sulfate (CHEBI:166654) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name
(E)-3-(3-sulooxyphenyl)prop-2-enoic acid
Manual Xrefs Databases
4947175 ChemSpider
HMDB0124975 HMDB
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Registry Number Type Source
86321-30-4 CAS Registry Number ChemIDplus