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CHEBI:15463 - cinnamoyl-CoA
| Formula | C30H42N7O17P3S |
| Net Charge | 0 |
| Average Mass | 897.687 |
| Monoisotopic Mass | 897.15707 |
| SMILES | [H]C(=CC(=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)c1ccccc1 |
| InChI | InChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1 |
| InChIKey | JVNVHNHITFVWIX-FUEUKBNZSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cinnamoyl-CoA (CHEBI:15463) has functional parent coenzyme A (CHEBI:15346) |
| cinnamoyl-CoA (CHEBI:15463) is a acyl-CoA (CHEBI:17984) |
| cinnamoyl-CoA (CHEBI:15463) is conjugate acid of cinnamoyl-CoA(4−) (CHEBI:57324) |
| Incoming Relation(s) |
| 4-coumaroyl-CoA (CHEBI:15499) has functional parent cinnamoyl-CoA (CHEBI:15463) |
| (E)-cinnamoyl-CoA (CHEBI:10956) is a cinnamoyl-CoA (CHEBI:15463) |
| cinnamoyl-CoA(4−) (CHEBI:57324) is conjugate base of cinnamoyl-CoA (CHEBI:15463) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylprop-2-enoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| Cinnamoyl-CoA | KEGG COMPOUND |
| 3-phenylprop-2-enoyl-coenzyme A | ChEBI |
| β-phenylacryloyl-coenzyme A | ChEBI |
| 3-phenylacryloyl-CoA | ChEBI |
| benzylideneacetyl-CoA | ChEBI |
| β-phenylacryloyl-CoA | ChEBI |
| Citations |
|---|