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CHEBI:747886 - 5,5,6,6,6-pentafluorohexanoyl-CoA(4-)

Default Structure
ChEBI IDCHEBI:747886
ChEBI Name5,5,6,6,6-pentafluorohexanoyl-CoA(4-)
Stars
Last Modified12 June 2026
Submitterabridge
DownloadsMolfile
FormulaC27H37F5N7O17P3S
Net Charge-4
Average Mass951.604
Monoisotopic Mass951.11216
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C27H41F5N7O17P3S/c1-25(2,20(43)23(44)35-7-5-15(40)34-8-9-60-16(41)4-3-6-26(28,29)27(30,31)32)11-53-59(50,51)56-58(48,49)52-10-14-19(55-57(45,46)47)18(42)24(54-14)39-13-38-17-21(33)36-12-37-22(17)39/h12-14,18-20,24,42-43H,3-11H2,1-2H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKeyXXKZMCMJWGYIBV-CITAKDKDSA-J
ChEBI Ontology
Outgoing Relation(s)
5,5,6,6,6-pentafluorohexanoyl-CoA(4-) (CHEBI:747886) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
5,5,6,6,6-pentafluorohexanoyl-CoAUniProt