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CHEBI:233778 - (2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA(4−)

ChEBI IDCHEBI:233778
ChEBI Name(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA(4−)
Stars
ASCII Name(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC39H58N7O17P3S
Net Charge-4
Average Mass1021.914
Monoisotopic Mass1021.28447
SMILESCCCCC/C=C\C/C=C\C/C=C\CC/C=C/C(=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/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,18-19,26-28,32-34,38,49-50H,4-7,10,13,16-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-,15-14-,19-18+/t28-,32-,33-,34+,38-/m1/s1
InChIKeyARCCYNRJAHXWRR-UTQMJIMISA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA(4−) (CHEBI:233778) is a long-chain 2,3-trans-enoyl CoA(4−) (CHEBI:83727)
(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA(4−) (CHEBI:233778) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
Synonym  Source
CoA 18:4(2E,6Z,9Z,12Z)(4−)SUBMITTER
UniProt Name  Source
(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoAUniProt