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CHEBI:747319 - (2S,4S,6S,8S,10S)‐2,4,6,8,10-pentamethyldodecanoate(1-)

Default Structure
ChEBI IDCHEBI:747319
ChEBI Name(2S,4S,6S,8S,10S)‐2,4,6,8,10-pentamethyldodecanoate(1-)
Stars
DefinitionA methyl-branched fatty acid anion that is the conjugate base of (2S,4S,6S,8S,10S)‐2,4,6,8,10-pentamethyldodecanoic acid resulting from the deprotonation of the carboxy group; major microspecies at pH 7.3.
Last Modified5 February 2026
Submitternhn
DownloadsMolfile
FormulaC17H33O2
Net Charge-1
Average Mass269.449
Monoisotopic Mass269.24860
SMILESCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)[O-]
InChIInChI=1S/C17H34O2/c1-7-12(2)8-13(3)9-14(4)10-15(5)11-16(6)17(18)19/h12-16H,7-11H2,1-6H3,(H,18,19)/p-1/t12-,13-,14-,15-,16-/m0/s1
InChIKeyKPCYHZODOYARGY-QXKUPLGCSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,6S,8S,10S)‐2,4,6,8,10-pentamethyldodecanoate(1-) (CHEBI:747319) is a methyl-branched fatty acid anion (CHEBI:67013)
UniProt Name  Source
(2S,4S,6S,8S,10S)‐2,4,6,8,10-pentamethyldodecanoateUniProt
Citations