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CHEBI:232642 - (Z)-3-oxohexadec-9-enoyl-CoA(4−)

ChEBI IDCHEBI:232642
ChEBI Name(Z)-3-oxohexadec-9-enoyl-CoA(4−)
Stars
ASCII Name(Z)-3-oxohexadec-9-enoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC37H58N7O18P3S
Net Charge-4
Average Mass1013.891
Monoisotopic Mass1013.27938
SMILESCCCCCC/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/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/h9-10,23-24,26,30-32,36,48-49H,4-8,11-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b10-9-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyJDNARGYWMLYADA-MDMKAECGSA-J
ChEBI Ontology
Outgoing Relation(s)
(Z)-3-oxohexadec-9-enoyl-CoA(4−) (CHEBI:232642) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758)
(Z)-3-oxohexadec-9-enoyl-CoA(4−) (CHEBI:232642) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
Synonyms  Source
(9Z)-3-ketohexadecenoyl-CoA(4−)SUBMITTER
3-oxo-16:1(9Z)-CoA(4−)SUBMITTER
UniProt Name  Source
3-oxo-(9Z-hexadecenoyl)-CoAUniProt