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CHEBI:232898 - 3-oxo-(9Z)-icos-9-enoyl-CoA(4−)

ChEBI IDCHEBI:232898
ChEBI Name3-oxo-(9Z)-icos-9-enoyl-CoA(4−)
Stars
ASCII Name3-oxo-(9Z)-icos-9-enoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC41H66N7O18P3S
Net Charge-4
Average Mass1069.999
Monoisotopic Mass1069.34198
SMILESCCCCCCCCCC/C=C\CCCCCC(=O)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/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h13-14,27-28,30,34-36,40,52-53H,4-12,15-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b14-13-/t30-,34-,35-,36+,40-/m1/s1
InChIKeyYALOALOWOFBCTP-MDNSONPLSA-J
ChEBI Ontology
Outgoing Relation(s)
3-oxo-(9Z)-icos-9-enoyl-CoA(4−) (CHEBI:232898) has functional parent gadoleate (CHEBI:32420)
3-oxo-(9Z)-icos-9-enoyl-CoA(4−) (CHEBI:232898) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758)
3-oxo-(9Z)-icos-9-enoyl-CoA(4−) (CHEBI:232898) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
Synonyms  Source
3-oxo-20:1(9Z)-CoA(4−)SUBMITTER
3-oxogadoleoyl-CoA(4−)SUBMITTER
3-keto-(9Z)-icosenoyl-CoA(4−)SUBMITTER
UniProt Name  Source
3-oxo-(9Z)-eicosenoyl-CoAUniProt