EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31082 - 2-hydroxy-6-oxonona-2,4,7-trienedioic acid

ChEBI IDCHEBI:31082
ChEBI Name2-hydroxy-6-oxonona-2,4,7-trienedioic acid
Stars
Last Modified9 December 2024
DownloadsMolfile
FormulaC9H8O6
Net Charge0
Average Mass212.157
Monoisotopic Mass212.03209
SMILES[H]C(=CC(=O)O)C(=O)C([H])=CC([H])=C(O)C(=O)O
InChIInChI=1S/C9H8O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-5,11H,(H,12,13)(H,14,15)
InChIKeyWCJYZUFKKTYNLB-UHFFFAOYSA-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)
2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:31082) is a nonatrienedicarboxylic acid (CHEBI:49264)
2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:31082) is conjugate acid of 2-hydroxy-6-oxonona-2,4,7-trienedioate (CHEBI:58637)
Incoming Relation(s)
(2E,4Z,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:61467) is a 2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:31082)
(2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:66939) is a 2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:31082)
2-hydroxy-6-oxonona-2,4,7-trienedioate (CHEBI:58637) is conjugate base of 2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:31082)
IUPAC Name 
2-hydroxy-6-oxonona-2,4,7-trienedioic acid
Synonym  Source
2-Hydroxy-6-ketononatrienedioateKEGG COMPOUND
Manual XrefsDatabases
C12624KEGG COMPOUND