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CHEBI:79021 - (11Z)-3-oxohexadecenoyl-CoA(4−)

ChEBI IDCHEBI:79021
ChEBI Name(11Z)-3-oxohexadecenoyl-CoA(4−)
Stars
ASCII Name(11Z)-3-oxohexadecenoyl-CoA(4-)
DefinitionA monounsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (11Z)-3-oxohexadecenoyl-CoA; major species at pH 7.3.
Last Modified28 July 2021
Submitternhn
DownloadsMolfile
FormulaC37H58N7O18P3S
Net Charge-4
Average Mass1013.891
Monoisotopic Mass1013.27938
SMILESCCCC/C=C\CCCCCCCC(=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/h7-8,23-24,26,30-32,36,48-49H,4-6,9-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b8-7-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyLGTVDWICXIBIOI-UBPKJMQESA-J
ChEBI Ontology
Outgoing Relation(s)
(11Z)-3-oxohexadecenoyl-CoA(4−) (CHEBI:79021) is a (11Z)-Δ11-fatty acyl-CoA(4−) (CHEBI:84947)
(11Z)-3-oxohexadecenoyl-CoA(4−) (CHEBI:79021) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(11Z)-3-oxohexadecenoyl-CoA(4−) (CHEBI:79021) is a hexadecenoyl-CoA(4−) (CHEBI:139572)
(11Z)-3-oxohexadecenoyl-CoA(4−) (CHEBI:79021) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(11Z)-3-oxohexadecenoyl-CoA(4−) (CHEBI:79021) is conjugate base of (11Z)-3-oxohexadecenoyl-CoA (CHEBI:82967)
Incoming Relation(s)
(11Z)-3-oxohexadecenoyl-CoA (CHEBI:82967) is conjugate acid of (11Z)-3-oxohexadecenoyl-CoA(4−) (CHEBI:79021)
Synonym  Source
(11Z)-3-oxohexadecenoyl-coenzyme A(4−)SUBMITTER
UniProt Name  Source
3-oxo-(11Z)-hexadecenoyl-CoAUniProt
Citations