ferulic acid 4-sulfate (CHEBI:133508)

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ChEBI Name	ferulic acid 4-sulfate

ChEBI ID	CHEBI:133508

Definition	A member of the class of cinnamic acids that is ferulic acid in which the phenolic hydrogen has been replaced by a sulfo group.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

Download	Molfile XML SDF

Formula

C10H10O7S

Net Charge

Average Mass

274.249

Monoisotopic Mass

274.01472

InChI

InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+

InChIKey

PZPATWACAAOHTJ-HWKANZROSA-N

SMILES

C(/C=C/C1=CC(=C(C=C1)OS(O)(=O)=O)OC)(O)=O

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

Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

ChEBI Ontology
Outgoing	ferulic acid 4-sulfate (CHEBI:133508) has functional parent ferulic acid (CHEBI:17620) ferulic acid 4-sulfate (CHEBI:133508) has role human xenobiotic metabolite (CHEBI:76967) ferulic acid 4-sulfate (CHEBI:133508) has role rat metabolite (CHEBI:86264) ferulic acid 4-sulfate (CHEBI:133508) is a aryl sulfate (CHEBI:37919) ferulic acid 4-sulfate (CHEBI:133508) is a cinnamic acids (CHEBI:23252) ferulic acid 4-sulfate (CHEBI:133508) is a monomethoxybenzene (CHEBI:25235) ferulic acid 4-sulfate (CHEBI:133508) is conjugate acid of ferulic acid 4-sulfate anion (CHEBI:133512)

Incoming	ferulic acid 4-sulfate anion (CHEBI:133512) is conjugate base of ferulic acid 4-sulfate (CHEBI:133508)

IUPAC Name

(2E)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid

Synonym	Source
ferulic acid sulfate	ChEBI

Last Modified

29 September 2016