CHEBI:66888 - (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2−)
ChEBI ID CHEBI:66888
ChEBI ASCII Name (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2-)
Definition A 2-hydroxy-6-oxonona-2,4,7-trienedioate having (2Z,4E,7E)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C9H6O6
Net Charge -2
Average Mass 210.14030
Monoisotopic Mass 210.01754
InChI InChI=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)/p-2/b2-1+,5-4+,7-3-
InChIKey WCJYZUFKKTYNLB-ARITWGJRSA-L
SMILES O\C(=C/C=C/C(=O)/C=C/C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2−) (CHEBI:66888) is a 2-hydroxy-6-oxonona-2,4,7-trienedioate (CHEBI:58637)
(2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2−) (CHEBI:66888) is conjugate base of (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:66939)
Incoming (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioic acid (CHEBI:66939) is conjugate acid of (2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate(2−) (CHEBI:66888)
IUPAC Name
(2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate
Synonym Source
(2Z,4E,7E)-2-hydroxy-6-oxonona-2,4,7-trienedioate UniProt
Last Modified
03 August 2012
General Comment
2012-08-03 Described in Lam, W. W. Y and Bugg, T. D. H. Chemistry of extradiol aromatic ring cleavage: isolation of a stable dienol ring fission intermediate and stereochemistry of its enzymatic hydrolytic cleavage. J. Chem. Soc., Chem. Commun. 10 (1994) 1163-1164.