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CHEBI:746927 - (2E,6E)-dodecadienoyl-CoA(4−)
| Formula | C33H50N7O17P3S |
| Net Charge | -4 |
| Average Mass | 941.784 |
| Monoisotopic Mass | 941.22187 |
| SMILES | CCCCC/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-] |
| InChI | InChI=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/h8-9,12-13,20-22,26-28,32,43-44H,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/b9-8+,13-12+/t22-,26-,27-,28+,32-/m1/s1 |
| InChIKey | BNPQDIKRZDRREL-ASTVXOCUSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2E,6E)-dodecadienoyl-CoA(4−) (CHEBI:746927) is a medium-chain 2,3-trans-enoyl CoA(4−) (CHEBI:83726) |
| Synonym | Source |
|---|---|
| CoA 12:2(2E,6E)(4−) | SUBMITTER |