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

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

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ChEBI ID	CHEBI:188394
ChEBI Name	3-[3-(sulfooxy)phenyl]prop-2-enoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H8O6S
Net Charge	0
Average Mass	244.224
Monoisotopic Mass	244.00416
SMILES	O=C(O)C=Cc1cccc(OS(=O)(=O)O)c1
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

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	blood serum (BTO:0000133)	MetaboLights (MTBLS3886)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
74852086	ChemSpider
HMDB0127985	HMDB