CHEBI:57413 - (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate
ChEBI ID CHEBI:57413
ChEBI ASCII Name (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate
Definition Conjugate base of (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H11O4
Net Charge -1
Average Mass 159.15980
Monoisotopic Mass 159.06573
InChI InChI=1S/C7H12O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-6,8-9H,1-3H2,(H,10,11)/p-1/t4-,5-,6+/m0/s1
InChIKey PTPROPUVXIZJPL-HCWXCVPCSA-M
SMILES O[C@H]1CC[C@@H](C[C@H]1O)C([O-])=O
ChEBI Ontology
Outgoing (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate (CHEBI:57413) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate (CHEBI:57413) is conjugate base of (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid (CHEBI:15566)
Incoming (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid (CHEBI:15566) is conjugate acid of (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate (CHEBI:57413)
IUPAC Name
(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate
Synonym Source
(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate UniProt
Last Modified
13 November 2017