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CHEBI:15520 - cyclohexa-1,5-diene-1-carbonyl-CoA
| Formula | C28H42N7O17P3S |
| Net Charge | 0 |
| Average Mass | 873.665 |
| Monoisotopic Mass | 873.15707 |
| 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)C1=CCCC=C1 |
| InChI | InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1 |
| InChIKey | IHXBZDHPKCDGKN-TYHXJLICSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyclohexa-1,5-diene-1-carbonyl-CoA (CHEBI:15520) has functional parent coenzyme A (CHEBI:15346) |
| cyclohexa-1,5-diene-1-carbonyl-CoA (CHEBI:15520) has functional parent cyclohexa-1,5-diene-1-carboxylic acid (CHEBI:49262) |
| cyclohexa-1,5-diene-1-carbonyl-CoA (CHEBI:15520) is a 2-enoyl-CoA (CHEBI:19573) |
| cyclohexa-1,5-diene-1-carbonyl-CoA (CHEBI:15520) is conjugate acid of cyclohexa-1,5-diene-1-carbonyl-CoA(4−) (CHEBI:57374) |
| Incoming Relation(s) |
| 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA (CHEBI:49261) has functional parent cyclohexa-1,5-diene-1-carbonyl-CoA (CHEBI:15520) |
| cyclohexa-1,5-diene-1-carbonyl-CoA(4−) (CHEBI:57374) is conjugate base of cyclohexa-1,5-diene-1-carbonyl-CoA (CHEBI:15520) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| cyclohex-1,5-diene-1-carbonyl-CoA | UM-BBD |
| Cyclohex-1,5-diene-1-carboxyl-CoA | UM-BBD |
| cyclohex-1,5-dienecarbonyl-CoA | UM-BBD |
| cyclohex-1,5-dienecarboxyl-CoA | UM-BBD |
| Cyclohexa-1,5-diene-1-carbonyl-CoA | KEGG COMPOUND |
| cyclohexa-1,5-diene-1-carbonyl-coenzymeA | ChEBI |