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CHEBI:15480 - 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA
| Formula | C32H50N7O19P3S |
| Net Charge | 0 |
| Average Mass | 961.771 |
| Monoisotopic Mass | 961.20950 |
| SMILES | CC(C)=CCC/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)CC(=O)O |
| InChI | InChI=1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-13+/t20-,25-,26-,27+,31-/m1/s1 |
| InChIKey | BVEJAKPMABGOEE-JQQGIELXSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA (CHEBI:15480) has functional parent coenzyme A (CHEBI:15346) |
| 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA (CHEBI:15480) is a 2-enoyl-CoA (CHEBI:19573) |
| 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA (CHEBI:15480) is conjugate acid of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5−) (CHEBI:57339) |
| Incoming Relation(s) |
| 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5−) (CHEBI:57339) is conjugate base of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA (CHEBI:15480) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[7-methyl-3-(2-oxoethyl)octa-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3-(4-Methylpent-3-en-1-yl)-pent-2-enedioyl-CoA | KEGG COMPOUND |
| Isohexenyl-glutaconyl-CoA | KEGG COMPOUND |