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CHEBI:64222 - (3S,6R)-6-hydroxy-3,7-dimethyloctanoate

ChEBI IDCHEBI:64222
ChEBI Name(3S,6R)-6-hydroxy-3,7-dimethyloctanoate
Stars
ASCII Name(3S,6R)-6-hydroxy-3,7-dimethyloctanoate
DefinitionA hydroxy fatty acid anion that is the conjugate base of (3S,6R)-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(C)[C@H](O)CC[C@H](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/t8-,9+/m0/s1
InChIKeyIQBGVZDRJBTLDN-DTWKUNHWSA-M
ChEBI Ontology
Outgoing Relation(s)
(3S,6R)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64222) is a 6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223)
(3S,6R)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64222) is conjugate base of (3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64269)
Incoming Relation(s)
(3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64269) is conjugate acid of (3S,6R)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64222)
IUPAC Name 
(3S,6R)-6-hydroxy-3,7-dimethyloctanoate
Citations