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CHEBI:234145 - (3E,6E)-dodecadienoyl-CoA(4-)

ChEBI IDCHEBI:234145
ChEBI Name(3E,6E)-dodecadienoyl-CoA(4-)
Stars
DefinitionA (3E,6E)-dienoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of (3E,6E)-dodecadienoyl-CoA; major species at pH 7.3.
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC33H50N7O17P3S
Net Charge-4
Average Mass941.784
Monoisotopic Mass941.22187
SMILESCCCCC/C=C/C/C=C/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/C33H54N7O17P3S/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/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b9-8+,12-11+/t22-,26-,27-,28+,32-/m1/s1
InChIKeyKEPSPLQXVPROMK-BORMVEKASA-J
ChEBI Ontology
Outgoing Relation(s)
(3E,6E)-dodecadienoyl-CoA(4-) (CHEBI:234145) is a trans-3-enoyl-CoA(4−) (CHEBI:58521)
(3E,6E)-dodecadienoyl-CoA(4-) (CHEBI:234145) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
Synonym  Source
trans3,6dodecadienoylcoaSUBMITTER