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CHEBI:143531 - 2-methylstearoyl-CoA(4−)

ChEBI IDCHEBI:143531
ChEBI Name2-methylstearoyl-CoA(4−)
Stars
ASCII Name2-methylstearoyl-CoA(4-)
Last Modified5 August 2021
Submitterlaimo
DownloadsMolfile
FormulaC40H68N7O17P3S
Net Charge-4
Average Mass1044.005
Monoisotopic Mass1043.36272
SMILESCCCCCCCCCCCCCCCCC(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/C40H72N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(2)39(52)68-23-22-42-30(48)20-21-43-37(51)34(50)40(3,4)25-61-67(58,59)64-66(56,57)60-24-29-33(63-65(53,54)55)32(49)38(62-29)47-27-46-31-35(41)44-26-45-36(31)47/h26-29,32-34,38,49-50H,5-25H2,1-4H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t28?,29-,32-,33-,34+,38-/m1/s1
InChIKeyBKWDZUVHXBVCDT-WFSMWQGZSA-J
ChEBI Ontology
Outgoing Relation(s)
2-methylstearoyl-CoA(4−) (CHEBI:143531) has functional parent 2-methyloctadecanoate (CHEBI:143530)
2-methylstearoyl-CoA(4−) (CHEBI:143531) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
Synonym  Source
2-methyloctadecanoyl-CoA(4−)SUBMITTER
UniProt Name  Source
2-methyloctadecanoyl-CoAUniProt
Citations