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CHEBI:15511 - trans-feruloyl-CoA
| Formula | C31H44N7O19P3S |
| Net Charge | 0 |
| Average Mass | 943.712 |
| Monoisotopic Mass | 943.16255 |
| SMILES | COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O |
| InChI | InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/b7-5+/t20-,24-,25-,26+,30-/m1/s1 |
| InChIKey | GBXZVJQQDAJGSO-NBXNMEGSSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-feruloyl-CoA (CHEBI:15511) has functional parent coenzyme A (CHEBI:15346) |
| trans-feruloyl-CoA (CHEBI:15511) is a feruloyl-CoA (CHEBI:14261) |
| trans-feruloyl-CoA (CHEBI:15511) is conjugate acid of trans-feruloyl-CoA(4−) (CHEBI:87305) |
| Incoming Relation(s) |
| trans-feruloyl-CoA(4−) (CHEBI:87305) is conjugate base of trans-feruloyl-CoA (CHEBI:15511) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| trans-Feruloyl-CoA | KEGG COMPOUND |
| trans-4-hydroxy-3-methoxycinnamoyl-CoA | ChEBI |
| feruloyl-CoA | ChEBI |
| trans-feruloyl-CoA | ChEBI |
| trans-feruloyl-coenzyme A | ChEBI |
| trans-4-hydroxy-3-methoxycinnamoyl-coenzyme A | ChEBI |
| Citations |
|---|