CHEBI:39564 - (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

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ChEBI Name (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
ChEBI ID CHEBI:39564
ChEBI ASCII Name (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H12O6
Net Charge 0
Average Mass 240.20938
Monoisotopic Mass 240.063
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)/t8-,10-/m1/s1
InChIKey QJYRAJSESKVEAE-PSASIEDQSA-N
SMILES O[C@@H]1C=CC=C([C@H]1C(O)=O)C(=O)CCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CHEBI:39564) is a 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (CHEBI:11656)
(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)
Incoming (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)
IUPAC Name
(1R,6R)-2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
Synonyms Sources
(1R,6R)-2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate KEGG COMPOUND
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate KEGG COMPOUND
2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID PDBeChem
SHCHC KEGG COMPOUND
Database Links Databases
164 PDBeChem
C05817 KEGG COMPOUND
DB06864 DrugBank
View more database links
Last Modified
15 July 2008