CHEBI:15567 - (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid
ChEBI ID CHEBI:15567
ChEBI ASCII Name (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10832, CHEBI:167, CHEBI:18518
Supplier Information
Download Molfile XML SDF
Formulae C7H10O4
C7H10O4
Net Charge 0
Average Mass 158.15190
Monoisotopic Mass 158.05791
InChI InChI=1S/C7H10O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-5,8H,1-3H2,(H,10,11)/t4-,5-/m0/s1
InChIKey BYPXGAVDTZXOLE-WHFBIAKZSA-N
SMILES O[C@H]1CC[C@@H](CC1=O)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,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid (CHEBI:15567) has functional parent cyclohexanecarboxylic acid (CHEBI:36096)
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid (CHEBI:15567) is a 4-oxo monocarboxylic acid (CHEBI:35950)
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid (CHEBI:15567) is a 5-hydroxy monocarboxylic acid (CHEBI:37125)
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid (CHEBI:15567) is a secondary α-hydroxy ketone (CHEBI:2468)
(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)
Incoming (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)
IUPAC Name
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid
Synonyms Sources
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate ChEBI
(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate KEGG COMPOUND
Manual Xref Database
C04670 KEGG COMPOUND
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Last Modified
10 January 2019