EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:177691
ChEBI Name(4Z)-3-(Dihydroxymethylene)-7-methyl-2,6-dioxo-4-octenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O6
Net Charge0
Average Mass228.200
Monoisotopic Mass228.06339
SMILESCC(C)C(=O)/C=C\C(C(=O)C(=O)O)=C(O)O
InChIInChI=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-
InChIKeyXRKYEQQCLNZTAW-ARJAWSKDSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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
Manual XrefsDatabases
C06581KEGG COMPOUND
4444452ChemSpider