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CHEBI:71236 - feruloylacetyl-CoA
| Formula | C33H46N7O20P3S |
| Net Charge | 0 |
| Average Mass | 985.749 |
| Monoisotopic Mass | 985.17312 |
| SMILES | COc1cc(C=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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/C33H46N7O20P3S/c1-33(2,28(46)31(47)36-9-8-23(43)35-10-11-64-24(44)13-19(41)6-4-18-5-7-20(42)21(12-18)55-3)15-57-63(53,54)60-62(51,52)56-14-22-27(59-61(48,49)50)26(45)32(58-22)40-17-39-25-29(34)37-16-38-30(25)40/h4-7,12,16-17,22,26-28,32,42,45-46H,8-11,13-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t22-,26-,27-,28?,32-/m1/s1 |
| InChIKey | KBVPPTKWCRMUEW-IIZVUBDFSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| feruloylacetyl-CoA (CHEBI:71236) is a acyl-CoA (CHEBI:17984) |
| feruloylacetyl-CoA (CHEBI:71236) is conjugate acid of trans-feruloylacetyl-CoA(4−) (CHEBI:142389) |
| feruloylacetyl-CoA (CHEBI:71236) is conjugate acid of feruloylacetyl-CoA(4−) (CHEBI:71221) |
| Incoming Relation(s) |
| trans-feruloylacetyl-CoA (CHEBI:142396) is a feruloylacetyl-CoA (CHEBI:71236) |
| trans-feruloylacetyl-CoA(4−) (CHEBI:142389) is conjugate base of feruloylacetyl-CoA (CHEBI:71236) |
| feruloylacetyl-CoA(4−) (CHEBI:71221) is conjugate base of feruloylacetyl-CoA (CHEBI:71236) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[5-(4-hydroxy-3-methoxyphenyl)-3-oxopent-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| Feruloyl-diketide-CoA | KEGG COMPOUND |
| feruloyl-diketide-coenzyme A | ChEBI |
| feruloylacetyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C17741 | KEGG COMPOUND |
| Citations |
|---|