EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:64908 - (3E)-2-oxohex-3-enedioate

ChEBI IDCHEBI:64908
ChEBI Name(3E)-2-oxohex-3-enedioate
Stars
ASCII Name(3E)-2-oxohex-3-enedioate
Definition2-Oxohex-3-enedioate in which the C=C double bond has E configuration; principal microspecies at pH 7.3.
Last Modified18 June 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC6H4O5
Net Charge-2
Average Mass156.093
Monoisotopic Mass156.00697
SMILESO=C([O-])C/C=C/C(=O)C(=O)[O-]
InChIInChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/p-2/b2-1+
InChIKeyQTHJXLFFFTVYJC-OWOJBTEDSA-L
ChEBI Ontology
Outgoing Relation(s)
(3E)-2-oxohex-3-enedioate (CHEBI:64908) is a 2-oxohex-3-enedioate (CHEBI:64928)
(3E)-2-oxohex-3-enedioate (CHEBI:64908) is conjugate base of (3E)-2-oxohex-3-enedioic acid (CHEBI:64031)
Incoming Relation(s)
(3E)-2-oxohex-3-enedioic acid (CHEBI:64031) is conjugate acid of (3E)-2-oxohex-3-enedioate (CHEBI:64908)
IUPAC Name 
(3E)-2-oxohex-3-enedioate
UniProt Name  Source
(3E)-2-oxohex-3-enedioateUniProt
Manual XrefsDatabases
CPD-8742MetaCyc
Registry NumbersSources
Reaxys:4310323Reaxys
Citations