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CHEBI:231998 - 16-methylheptadecanoyl-CoA(4−)

ChEBI IDCHEBI:231998
ChEBI Name16-methylheptadecanoyl-CoA(4−)
Stars
ASCII Name16-methylheptadecanoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC39H66N7O17P3S
Net Charge-4
Average Mass1029.978
Monoisotopic Mass1029.34707
SMILESCC(C)CCCCCCCCCCCCCCC(=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/C39H70N7O17P3S/c1-27(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-30(48)67-22-21-41-29(47)19-20-42-37(51)34(50)39(3,4)24-60-66(57,58)63-65(55,56)59-23-28-33(62-64(52,53)54)32(49)38(61-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,49-50H,5-24H2,1-4H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/t28-,32-,33-,34+,38-/m1/s1
InChIKeyARSPGTDSZGAXMP-LFZQUHGESA-J
ChEBI Ontology
Outgoing Relation(s)
16-methylheptadecanoyl-CoA(4−) (CHEBI:231998) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
Synonyms  Source
isostearoyl-CoA(4−)SUBMITTER
iso-octadecanoyl-CoA(4−)SUBMITTER
UniProt Name  Source
16-methylheptadecanoyl-CoAUniProt
Citations