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CHEBI:15499 - 4-coumaroyl-CoA
| Formula | C30H42N7O18P3S |
| Net Charge | 0 |
| Average Mass | 913.686 |
| Monoisotopic Mass | 913.15199 |
| 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=Cc1ccc(O)cc1 |
| InChI | InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1 |
| InChIKey | DMZOKBALNZWDKI-FUEUKBNZSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-coumaroyl-CoA (CHEBI:15499) has functional parent 4-coumaric acid (CHEBI:36090) |
| 4-coumaroyl-CoA (CHEBI:15499) has functional parent cinnamoyl-CoA (CHEBI:15463) |
| 4-coumaroyl-CoA (CHEBI:15499) is a 2-enoyl-CoA (CHEBI:19573) |
| 4-coumaroyl-CoA (CHEBI:15499) is a monounsaturated fatty acyl-CoA (CHEBI:139575) |
| 4-coumaroyl-CoA (CHEBI:15499) is conjugate acid of 4-coumaroyl-CoA(4−) (CHEBI:57355) |
| Incoming Relation(s) |
| trans-4-coumaroyl-CoA (CHEBI:85531) is a 4-coumaroyl-CoA (CHEBI:15499) |
| 4-coumaroyl-CoA(4−) (CHEBI:57355) is conjugate base of 4-coumaroyl-CoA (CHEBI:15499) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 4-Coumaroyl-CoA | KEGG COMPOUND |
| 4-Hydroxycinnamoyl-CoA | KEGG COMPOUND |
| 4-Coumaroyl-coenzyme A | ChemIDplus |
| 4-Coumaroyl-coa | ChemIDplus |
| 4-Coumaroyl-CoA | KEGG COMPOUND |