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

Default Structure
ChEBI IDCHEBI:64223
ChEBI Name6-hydroxy-3,7-dimethyloctanoate
Stars
DefinitionA 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.
Last Modified22 March 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H19O3
Net Charge-1
Average Mass187.259
Monoisotopic Mass187.13397
SMILESCC(CCC(O)C(C)C)CC(=O)[O-]
InChIInChI=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
InChIKeyIQBGVZDRJBTLDN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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
UniProt Name  Source
6-hydroxy-3,7-dimethyloctanoateUniProt
Manual XrefsDatabases
6-Hydroxy-37-dimethyloctanoateMetaCyc
Citations