CHEBI:84269 - (2S)-2-methylheptadecanoate

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ChEBI Name (2S)-2-methylheptadecanoate
ChEBI ID CHEBI:84269
ChEBI ASCII Name (2S)-2-methylheptadecanoate
Definition A 2-methyl fatty acid anion that is the conjugate base of (2S)-2-methyl-heptadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information No supplier information found for this compound.
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Formula C18H35O2
Net Charge -1
Average Mass 283.46980
Monoisotopic Mass 283.26425
InChI InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20/h17H,3-16H2,1-2H3,(H,19,20)/p-1/t17-/m0/s1
InChIKey IZUAKSAWRVFBPE-KRWDZBQOSA-M
SMILES CCCCCCCCCCCCCCC[C@H](C)C([O-])=O
ChEBI Ontology
Outgoing (2S)-2-methylheptadecanoate (CHEBI:84269) is a 2-methyl fatty acid anion (CHEBI:83976)
(2S)-2-methylheptadecanoate (CHEBI:84269) is a long-chain fatty acid anion (CHEBI:57560)
(2S)-2-methylheptadecanoate (CHEBI:84269) is conjugate base of (2S)-2-methylheptadecanoic acid (CHEBI:85218)
Incoming (2S)-2-methylheptadecanoic acid (CHEBI:85218) is conjugate acid of (2S)-2-methylheptadecanoate (CHEBI:84269)
IUPAC Name
(2S)-2-methylheptadecanoate
Synonym Source
(2S)-2-methylheptadecanoate UniProt
Citation
Gokulan K, O'Leary SE, Russell WK, Russell DH, Lalgondar M, Begley TP, Ioerger TR, Sacchettini JC (2013)
Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones.
The Journal of biological chemistry 288, 16484-16494 (Source: SUBMITTER) [PubMed:23615910]
[show Abstract]
Last Modified
13 March 2015