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CHEBI:15503 - 2,3-didehydropimeloyl-CoA
| Formula | C28H44N7O19P3S |
| Net Charge | 0 |
| Average Mass | 907.679 |
| Monoisotopic Mass | 907.16255 |
| SMILES | [H]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)CCCC(=O)O |
| InChI | InChI=1S/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23+,27-/m1/s1 |
| InChIKey | JLSPXYVUFSDGNY-UYRKPTJQSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3-didehydropimeloyl-CoA (CHEBI:15503) has functional parent hept-2-enedioic acid (CHEBI:37260) |
| 2,3-didehydropimeloyl-CoA (CHEBI:15503) has functional parent pimeloyl-CoA (CHEBI:15504) |
| 2,3-didehydropimeloyl-CoA (CHEBI:15503) is a 2-enoyl-CoA (CHEBI:19573) |
| 2,3-didehydropimeloyl-CoA (CHEBI:15503) is a monounsaturated fatty acyl-CoA (CHEBI:139575) |
| 2,3-didehydropimeloyl-CoA (CHEBI:15503) is conjugate acid of 2,3-didehydropimeloyl-CoA(5−) (CHEBI:57359) |
| Incoming Relation(s) |
| 2,3-didehydropimeloyl-CoA(5−) (CHEBI:57359) is conjugate base of 2,3-didehydropimeloyl-CoA (CHEBI:15503) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 6-Carboxyhex-2-enoyl-CoA | KEGG COMPOUND |
| 2,3-Didehydro-pimeloyl-CoA | KEGG COMPOUND |