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CHEBI:232759 - 3-oxo-(17Z)-hexacosenoyl-CoA(4−)

ChEBI IDCHEBI:232759
ChEBI Name3-oxo-(17Z)-hexacosenoyl-CoA(4−)
Stars
ASCII Name3-oxo-(17Z)-hexacosenoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC47H78N7O18P3S
Net Charge-4
Average Mass1154.161
Monoisotopic Mass1153.43588
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=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/C47H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h11-12,33-34,36,40-42,46,58-59H,4-10,13-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/b12-11-/t36-,40-,41-,42+,46-/m1/s1
InChIKeyXHIGCFNGQSDOKD-UNLUTKPOSA-J
ChEBI Ontology
Outgoing Relation(s)
3-oxo-(17Z)-hexacosenoyl-CoA(4−) (CHEBI:232759) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
3-oxo-(17Z)-hexacosenoyl-CoA(4−) (CHEBI:232759) is a very long-chain 3-oxoacyl-CoA(4−) (CHEBI:90725)
Synonyms  Source
3-keto-(17Z)-hexacosenoyl-CoA(4−)SUBMITTER
(17Z)-3-oxohexacosenoyl-CoA(4−)SUBMITTER
3-oxo-26:1(17Z)-CoA(4−)SUBMITTER
UniProt Name  Source
3-oxo-(17Z)-hexacosenoyl-CoAUniProt