EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:760728 - (3S)-methylpalmitoyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:760728
ChEBI Name(3S)-methylpalmitoyl-CoA(4−)
Stars
DefinitionA 3-methyl fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (3S)-methylpalmitoyl-CoA; major species at pH 7.3.
Last Modified12 August 2026
Submitternhn
DownloadsMolfile
FormulaC38H64N7O17P3S
Net Charge-4
Average Mass1015.951
Monoisotopic Mass1015.33142
SMILESCCCCCCCCCCCCC[C@H](C)CC(=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/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(2)21-29(47)66-20-19-40-28(46)17-18-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-27,31-33,37,48-49H,5-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t26-,27+,31+,32+,33-,37+/m0/s1
InChIKeyZLODFYCZPXYUFC-LEUMEZKXSA-J
ChEBI Ontology
Outgoing Relation(s)
(3S)-methylpalmitoyl-CoA(4−) (CHEBI:760728) is a 3-methylpalmitoyl-CoA(4−) (CHEBI:83969)
UniProt Name  Source
(3S)-methyl-hexadecanoyl-CoAUniProt
Citations