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CHEBI:233847 - (2E,6Z,9Z)-dodecatrienoyl-CoA(4−)

ChEBI IDCHEBI:233847
ChEBI Name(2E,6Z,9Z)-dodecatrienoyl-CoA(4−)
Stars
ASCII Name(2E,6Z,9Z)-dodecatrienoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC33H48N7O17P3S
Net Charge-4
Average Mass939.768
Monoisotopic Mass939.20622
SMILESCC/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/C33H52N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h5-6,8-9,12-13,20-22,26-28,32,43-44H,4,7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b6-5-,9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1
InChIKeyXGHIPSZYSVQIHM-JHHAAFDISA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,6Z,9Z)-dodecatrienoyl-CoA(4−) (CHEBI:233847) is a medium-chain 2,3-trans-enoyl CoA(4−) (CHEBI:83726)
(2E,6Z,9Z)-dodecatrienoyl-CoA(4−) (CHEBI:233847) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
Synonym  Source
CoA 12:3(2E,6Z,9Z)(4−)SUBMITTER
UniProt Name  Source
(2E,6Z,9Z)-dodecatrienoyl-CoAUniProt