2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid (CHEBI:169063)

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	2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid

ChEBI ID	CHEBI:169063

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H8O7S

Net Charge

Average Mass

260.220

Monoisotopic Mass

259.99907

InChI

InChI=1S/C9H8O7S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4H,5H2,(H,11,12)(H,13,14,15)

InChIKey

RYDYTXAKQCQRAZ-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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	2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid (CHEBI:169063) has functional parent pyruvic acid (CHEBI:32816) 2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid (CHEBI:169063) is a 2-oxo monocarboxylic acid (CHEBI:35910)

IUPAC Name

2-oxo-3-(4-sulooxyphenyl)propanoic acid