CHEBI:64223 - 6-hydroxy-3,7-dimethyloctanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-hydroxy-3,7-dimethyloctanoate
ChEBI ID CHEBI:64223
Definition A hydroxy fatty acid anion that is the conjugate base of 6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C10H19O3
Net Charge -1
Average Mass 187.25610
Monoisotopic Mass 187.13397
InChI InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)/p-1
InChIKey IQBGVZDRJBTLDN-UHFFFAOYSA-M
SMILES CC(C)C(O)CCC(C)CC([O-])=O
ChEBI Ontology
Outgoing 6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223) has functional parent octanoate (CHEBI:25646)
6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223) is a hydroxy fatty acid anion (CHEBI:59835)
6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223) is conjugate base of 6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451)
Incoming (3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221) is a 6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223)
(3S,6R)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64222) is a 6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223)
6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:50451) is conjugate acid of 6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223)
IUPAC Name
6-hydroxy-3,7-dimethyloctanoate
Synonym Source
6-hydroxy-3,7-dimethyloctanoate UniProt
Manual Xref Database
6-Hydroxy-37-dimethyloctanoate MetaCyc
View more database links
Citation Waiting for Citations Type Source
11157238 PubMed citation SUBMITTER
Last Modified
22 March 2012