3-[3-(sulfooxy)phenyl]prop-2-enoic acid (CHEBI:188394)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-[3-(sulfooxy)phenyl]prop-2-enoic acid

ChEBI ID	CHEBI:188394

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H8O6S

Net Charge

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)

InChIKey

YPXHXDXMTWPQTO-UHFFFAOYSA-N

SMILES

S(OC=1C=C(C=CC1)C=CC(O)=O)(O)(=O)=O

Metabolite of Species	Details
Mus musculus (NCBITAXON:10090)	Found in blood serum (BTO:0000133). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	3-[3-(sulfooxy)phenyl]prop-2-enoic acid (CHEBI:188394) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

3-(3-sulooxyphenyl)prop-2-enoic acid