1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid (CHEBI:177449)

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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	1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid

ChEBI ID	CHEBI:177449

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H10O6

Net Charge

Average Mass

190.151

Monoisotopic Mass

190.04774

InChI

InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)

InChIKey

WVMWZWGZRAXUBK-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Sus scrofa (NCBI:txid9823)	Found in Sausage (ENVO:00002166). 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	1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid (CHEBI:177449) is a hydroxy monocarboxylic acid (CHEBI:35868)

IUPAC Name

1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid