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CHEBI:15474 - 2-furoyl-CoA
| Formula | C26H38N7O18P3S |
| Net Charge | 0 |
| Average Mass | 861.610 |
| Monoisotopic Mass | 861.12069 |
| 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)c1ccco1 |
| InChI | InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20+,24-/m1/s1 |
| InChIKey | IIKOXWXMCPEVLL-DJVIHCHSSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-furoyl-CoA (CHEBI:15474) has functional parent 2-furoic acid (CHEBI:30845) |
| 2-furoyl-CoA (CHEBI:15474) has functional parent coenzyme A (CHEBI:15346) |
| 2-furoyl-CoA (CHEBI:15474) is a acyl-CoA (CHEBI:17984) |
| 2-furoyl-CoA (CHEBI:15474) is conjugate acid of 2-furoyl-CoA(4−) (CHEBI:57333) |
| Incoming Relation(s) |
| 5-hydroxy-2-furoyl-CoA (CHEBI:15510) has functional parent 2-furoyl-CoA (CHEBI:15474) |
| 2-furoyl-CoA(4−) (CHEBI:57333) is conjugate base of 2-furoyl-CoA (CHEBI:15474) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(furan-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 2-Furoyl-CoA | KEGG COMPOUND |
| 2-furoyl-coenzyme A | ChEBI |
| 2-furylformyl-CoA | ChEBI |
| Citations |
|---|