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CHEBI:233842 - 3-oxo-(9Z,12Z,15Z)-octadecatrienoyl-CoA(4−)

ChEBI IDCHEBI:233842
ChEBI Name3-oxo-(9Z,12Z,15Z)-octadecatrienoyl-CoA(4−)
Stars
ASCII Name3-oxo-(9Z,12Z,15Z)-octadecatrienoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC39H58N7O18P3S
Net Charge-4
Average Mass1037.913
Monoisotopic Mass1037.27938
SMILESCC/C=C\C/C=C\C/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/C39H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h5-6,8-9,11-12,25-26,28,32-34,38,50-51H,4,7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b6-5-,9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyAWBOYVXWDARCCP-PQBHNYBOSA-J
ChEBI Ontology
Outgoing Relation(s)
3-oxo-(9Z,12Z,15Z)-octadecatrienoyl-CoA(4−) (CHEBI:233842) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758)
3-oxo-(9Z,12Z,15Z)-octadecatrienoyl-CoA(4−) (CHEBI:233842) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
Synonyms  Source
3-keto-(9Z,12Z,15Z)-octadecatrienoyl-CoA(4−)SUBMITTER
CoA 3-oxo-18:3(9Z,12Z,15Z)(4−)SUBMITTER
UniProt Name  Source
3-oxo-(9Z,12Z,15Z)-octadecatrienoyl-CoAUniProt