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CHEBI:747349 - (2S)-2-methyl-hexadecanoyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:747349
ChEBI Name(2S)-2-methyl-hexadecanoyl-CoA(4−)
Stars
DefinitionA methyl-branched fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (2S)-2-methyl-hexadecanoyl-CoA; major species at pH 7.3.
Last Modified12 February 2026
Submitternhn
DownloadsMolfile
FormulaC38H64N7O17P3S
Net Charge-4
Average Mass1015.951
Monoisotopic Mass1015.33142
SMILESCCCCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C38H68N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-26(2)37(50)66-21-20-40-28(46)18-19-41-35(49)32(48)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-31(61-63(51,52)53)30(47)36(60-27)45-25-44-29-33(39)42-24-43-34(29)45/h24-27,30-32,36,47-48H,5-23H2,1-4H3,(H,40,46)(H,41,49)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t26-,27+,30+,31+,32-,36+/m0/s1
InChIKeyQZFDHHYXOIZHRU-PNAIMHOQSA-J
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-methyl-hexadecanoyl-CoA(4−) (CHEBI:747349) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
UniProt Name  Source
(2S)-2-methyl-hexadecanoyl-CoAUniProt
Citations