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

ChEBI IDCHEBI:15567
ChEBI Name(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid
Stars
ASCII Name(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid
Secondary ChEBI IDsCHEBI:167, CHEBI:10832, CHEBI:18518
Last Modified10 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H10O4
Net Charge0
Average Mass158.153
Monoisotopic Mass158.05791
SMILESO=C(O)[C@H]1CC[C@H](O)C(=O)C1
InChIInChI=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
InChIKeyBYPXGAVDTZXOLE-WHFBIAKZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylateKEGG COMPOUND
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylateChEBI
Manual XrefsDatabases
C04670KEGG COMPOUND
C04670KEGG COMPOUND