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CHEBI:232912 - 3-oxo-(5Z)-hexadec-5-enoyl-CoA(4−)

ChEBI IDCHEBI:232912
ChEBI Name3-oxo-(5Z)-hexadec-5-enoyl-CoA(4−)
Stars
ASCII Name3-oxo-(5Z)-hexadec-5-enoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC37H58N7O18P3S
Net Charge-4
Average Mass1013.891
Monoisotopic Mass1013.27938
SMILESCCCCCCCCCC/C=C\CC(=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/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h13-14,23-24,26,30-32,36,48-49H,4-12,15-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b14-13-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyBELFYZXGNLUOAH-UGTANHMASA-J
ChEBI Ontology
Outgoing Relation(s)
3-oxo-(5Z)-hexadec-5-enoyl-CoA(4−) (CHEBI:232912) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758)
3-oxo-(5Z)-hexadec-5-enoyl-CoA(4−) (CHEBI:232912) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
Synonyms  Source
3-keto-(5Z)-hexadecenoyl-CoA(4−)SUBMITTER
3-oxo-16:1(5Z)-CoA(4−)SUBMITTER
UniProt Name  Source
3-oxo-(5Z)-hexadecenoyl-CoAUniProt