CHEBI:15566 - (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid
ChEBI ID CHEBI:15566
ChEBI ASCII Name (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10831, CHEBI:164, CHEBI:18516
Supplier Information
Download Molfile XML SDF
Formula C7H12O4
Net Charge 0
Average Mass 160.16778
Monoisotopic Mass 160.07356
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)/t4-,5-,6+/m0/s1
InChIKey PTPROPUVXIZJPL-HCWXCVPCSA-N
SMILES O[C@H]1CC[C@@H](C[C@H]1O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid (CHEBI:15566) has functional parent cyclohexanecarboxylic acid (CHEBI:36096)
(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid (CHEBI:15566) is a hydroxy monocarboxylic acid (CHEBI:35868)
(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)
Incoming (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)
IUPAC Name
(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid
Synonyms Sources
(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate ChEBI
(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate KEGG COMPOUND
Manual Xref Database
C04687 KEGG COMPOUND
View more database links
Last Modified
10 January 2019