CHEBI:57414 - (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate
ChEBI ID CHEBI:57414
ChEBI ASCII Name (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate
Definition Conjugate base of (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H9O4
Net Charge -1
Average Mass 157.14400
Monoisotopic Mass 157.05063
InChI InChI=1S/C7H10O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-5,8H,1-3H2,(H,10,11)/p-1/t4-,5-/m0/s1
InChIKey BYPXGAVDTZXOLE-WHFBIAKZSA-M
SMILES O[C@H]1CC[C@@H](CC1=O)C([O-])=O
ChEBI Ontology
Outgoing (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate (CHEBI:57414) is a 3-oxo monocarboxylic acid anion (CHEBI:35973)
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate (CHEBI:57414) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate (CHEBI:57414) is conjugate base of (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid (CHEBI:15567)
Incoming (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid (CHEBI:15567) is conjugate acid of (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate (CHEBI:57414)
IUPAC Name
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate
Synonym Source
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate UniProt
Last Modified
13 November 2017