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CHEBI:15464 - (E,E)-piperonyl-CoA
| Formula | C33H44N7O19P3S |
| Net Charge | 0 |
| Average Mass | 967.734 |
| Monoisotopic Mass | 967.16255 |
| SMILES | CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C33H44N7O19P3S/c1-33(2,28(44)31(45)36-10-9-23(41)35-11-12-63-24(42)6-4-3-5-19-7-8-20-21(13-19)54-18-53-20)15-56-62(51,52)59-61(49,50)55-14-22-27(58-60(46,47)48)26(43)32(57-22)40-17-39-25-29(34)37-16-38-30(25)40/h3-8,13,16-17,22,26-28,32,43-44H,9-12,14-15,18H2,1-2H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b5-3+,6-4+/t22-,26-,27-,28+,32-/m1/s1 |
| InChIKey | GEVZCNXLEOONCV-TZKXQVKESA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (E,E)-piperonyl-CoA (CHEBI:15464) has functional parent (E,E)-piperic acid (CHEBI:37316) |
| (E,E)-piperonyl-CoA (CHEBI:15464) has functional parent coenzyme A (CHEBI:15346) |
| (E,E)-piperonyl-CoA (CHEBI:15464) is a benzodioxoles (CHEBI:38298) |
| (E,E)-piperonyl-CoA (CHEBI:15464) is a unsaturated fatty acyl-CoA (CHEBI:51006) |
| (E,E)-piperonyl-CoA (CHEBI:15464) is conjugate acid of (E,E)-piperonyl-CoA(4−) (CHEBI:57325) |
| Incoming Relation(s) |
| (E,E)-piperonyl-CoA(4−) (CHEBI:57325) is conjugate base of (E,E)-piperonyl-CoA (CHEBI:15464) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (E,E)-Piperoyl-CoA | KEGG COMPOUND |
| (E,E)-piperoyl-CoA | ChEBI |