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CHEBI:233849 - 3-oxo-(6Z,9Z)-dodecadienoyl-CoA(4−)
| Formula | C33H48N7O18P3S |
| Net Charge | -4 |
| Average Mass | 955.767 |
| Monoisotopic Mass | 955.20113 |
| SMILES | CC/C=C\C/C=C\CCC(=O)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-] |
| InChI | InChI=1S/C33H52N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h5-6,8-9,19-20,22,26-28,32,44-45H,4,7,10-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b6-5-,9-8-/t22-,26-,27-,28+,32-/m1/s1 |
| InChIKey | DFTQFOYBHUUHMQ-GEKZHSOESA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxo-(6Z,9Z)-dodecadienoyl-CoA(4−) (CHEBI:233849) is a medium-chain 3-oxoacyl-CoA(4−) (CHEBI:229604) |
| 3-oxo-(6Z,9Z)-dodecadienoyl-CoA(4−) (CHEBI:233849) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330) |
| Synonyms | Source |
|---|---|
| 3-keto-(6Z,9Z)-dodecadienoyl-CoA(4−) | SUBMITTER |
| CoA 3-oxo-12:2(6Z,9Z)(4−) | SUBMITTER |
| UniProt Name | Source |
|---|---|
| 3-oxo-(6Z,9Z)-dodecadienoyl-CoA | UniProt |