EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:66936 - (2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid

Default Structure
ChEBI IDCHEBI:66936
ChEBI Name(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid
Stars
ASCII Name(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid
DefinitionA 2-hydroxy-6-oxonona-2,4-dienedioic acid having (2Z,4E)-configuration.
Last Modified3 August 2012
SubmitterSteve
DownloadsMolfile
FormulaC9H10O6
Net Charge0
Average Mass214.173
Monoisotopic Mass214.04774
SMILESO=C(O)CCC(=O)/C=C/C=C(\O)C(=O)O
InChIInChI=1S/C9H10O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)/b2-1+,7-3-
InChIKeyRFENOVFRMPRRJI-YDCWOTKKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid (CHEBI:66936) is a 2-hydroxy-6-oxonona-2,4-dienedioic acid (CHEBI:17367)
(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid (CHEBI:66936) is conjugate acid of (2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioate(2−) (CHEBI:66887)
Incoming Relation(s)
(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioate(2−) (CHEBI:66887) is conjugate base of (2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid (CHEBI:66936)
IUPAC Name 
(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid
Registry NumbersSources
Reaxys:6923341Reaxys