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CHEBI:64221 - (3R,6S)-6-hydroxy-3,7-dimethyloctanoate

ChEBI IDCHEBI:64221
ChEBI Name(3R,6S)-6-hydroxy-3,7-dimethyloctanoate
Stars
ASCII Name(3R,6S)-6-hydroxy-3,7-dimethyloctanoate
DefinitionA hydroxy fatty acid anion that is the conjugate base of (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Last Modified22 October 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+/m1/s1
InChIKeyIQBGVZDRJBTLDN-BDAKNGLRSA-M
ChEBI Ontology
Outgoing Relation(s)
(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221) is a 6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223)
(3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221) is conjugate base of (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64265)
Incoming Relation(s)
(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64265) is conjugate acid of (3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221)
IUPAC Name 
(3R,6S)-6-hydroxy-3,7-dimethyloctanoate
UniProt Name  Source
(3R,6S)-6-hydroxy-3,7-dimethyloctanoateUniProt
Citations