CHEBI:58689 - (1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate
ChEBI ID CHEBI:58689
ChEBI ASCII Name (1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate
Definition Dicarboxylate anion of (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
Formula C11H10O6
Net Charge -2
Average Mass 238.19350
Monoisotopic Mass 238.048
InChI InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/p-2/t8-,10-/m1/s1
InChIKey QJYRAJSESKVEAE-PSASIEDQSA-L
SMILES O[C@@H]1C=CC=C([C@H]1C([O-])=O)C(=O)CCC([O-])=O
ChEBI Ontology
Outgoing (1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate (CHEBI:58689) is a dicarboxylic acid dianion (CHEBI:28965)
(1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate (CHEBI:58689) is conjugate base of (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CHEBI:39564)
Incoming (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CHEBI:39564) is conjugate acid of (1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate (CHEBI:58689)
IUPAC Name
(1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate
Synonym Source
(1R,6R)-6-hydroxy-2-succinyl-cyclohexa-2,4-diene-1-carboxylate UniProt
Last Modified
23 July 2014