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CHEBI:15473 - crotonoyl-CoA
| Formula | C25H40N7O17P3S |
| Net Charge | 0 |
| Average Mass | 835.616 |
| Monoisotopic Mass | 835.14142 |
| SMILES | C/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/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1 |
| InChIKey | KFWWCMJSYSSPSK-PAXLJYGASA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| crotonoyl-CoA (CHEBI:15473) has functional parent crotonic acid (CHEBI:41131) |
| crotonoyl-CoA (CHEBI:15473) is a but-2-enoyl-CoA (CHEBI:36926) |
| crotonoyl-CoA (CHEBI:15473) is conjugate acid of crotonoyl-CoA(4−) (CHEBI:57332) |
| Incoming Relation(s) |
| crotonoyl-CoA(4−) (CHEBI:57332) is conjugate base of crotonoyl-CoA (CHEBI:15473) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-but-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| Crotonoyl-CoA | KEGG COMPOUND |
| Crotonyl-CoA | KEGG COMPOUND |
| trans-But-2-enoyl-CoA | KEGG COMPOUND |
| trans-butyr-2-enoyl-CoA | UM-BBD |
| (E)-but-2-enoyl-CoA | ChEBI |