(4Z)-3-(Dihydroxymethylene)-7-methyl-2,6-dioxo-4-octenoic acid (CHEBI:177691)

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	(4Z)-3-(Dihydroxymethylene)-7-methyl-2,6-dioxo-4-octenoic acid

ChEBI ID	CHEBI:177691

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H12O6

Net Charge

Average Mass

228.200

Monoisotopic Mass

228.06339

InChI

InChI=1S/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,13-14H,1-2H3,(H,15,16)/b4-3-

InChIKey

XRKYEQQCLNZTAW-ARJAWSKDSA-N

SMILES

O=C(C(C)C)/C=C\C(C(=O)C(O)=O)=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	(4Z)-3-(Dihydroxymethylene)-7-methyl-2,6-dioxo-4-octenoic acid (CHEBI:177691) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name

(Z)-3-(dihydroxymethylidene)-7-methyl-2,6-dioxooct-4-enoic acid