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CHEBI:232892 - (2E,9Z)-icosadi-2,9-enoyl-CoA(4−)

ChEBI IDCHEBI:232892
ChEBI Name(2E,9Z)-icosadi-2,9-enoyl-CoA(4−)
Stars
ASCII Name(2E,9Z)-icosadi-2,9-enoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC41H66N7O17P3S
Net Charge-4
Average Mass1054.000
Monoisotopic Mass1053.34707
SMILESCCCCCCCCCC/C=C\CCCCC/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/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h13-14,20-21,28-30,34-36,40,51-52H,4-12,15-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b14-13-,21-20+/t30-,34-,35-,36+,40-/m1/s1
InChIKeyVCGWYAHHVOPZFZ-WOTAGVLPSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,9Z)-icosadi-2,9-enoyl-CoA(4−) (CHEBI:232892) has functional parent gadoleate (CHEBI:32420)
(2E,9Z)-icosadi-2,9-enoyl-CoA(4−) (CHEBI:232892) is a long-chain 2,3-trans-enoyl CoA(4−) (CHEBI:83727)
Synonyms  Source
trans-2,cis-9-icosadienoyl-CoA(4−)SUBMITTER
20:2(2E,9Z)-CoA(4−)SUBMITTER
UniProt Name  Source
(2E,9Z)-eicosadienoyl-CoAUniProt