4-methoxy-3-(sulfooxy)benzoic acid (CHEBI:176483)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	4-methoxy-3-(sulfooxy)benzoic acid

ChEBI ID	CHEBI:176483

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H8O7S

Net Charge

Average Mass

248.210

Monoisotopic Mass

247.99907

InChI

InChI=1S/C8H8O7S/c1-14-6-3-2-5(8(9)10)4-7(6)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)

InChIKey

VSFFJSSUGMYRMP-UHFFFAOYSA-N

SMILES

S(OC1=C(OC)C=CC(=C1)C(O)=O)(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). 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	4-methoxy-3-(sulfooxy)benzoic acid (CHEBI:176483) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

4-methoxy-3-sulooxybenzoic acid