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CHEBI:15510 - 5-hydroxy-2-furoyl-CoA
| Formula | C26H38N7O19P3S |
| Net Charge | 0 |
| Average Mass | 877.609 |
| Monoisotopic Mass | 877.11560 |
| 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)c1ccc(O)o1 |
| InChI | InChI=1S/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20+,24-/m1/s1 |
| InChIKey | IDJHMFITFRNMIE-CITAKDKDSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-hydroxy-2-furoyl-CoA (CHEBI:15510) has functional parent 2-furoyl-CoA (CHEBI:15474) |
| 5-hydroxy-2-furoyl-CoA (CHEBI:15510) is a acyl-CoA (CHEBI:17984) |
| 5-hydroxy-2-furoyl-CoA (CHEBI:15510) is conjugate acid of 5-hydroxy-2-furoyl-CoA(5−) (CHEBI:57365) |
| Incoming Relation(s) |
| 5-hydroxy-2-furoyl-CoA(5−) (CHEBI:57365) is conjugate base of 5-hydroxy-2-furoyl-CoA (CHEBI:15510) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| S-(5-Hydroxy-2-furoyl)-CoA | KEGG COMPOUND |
| S-(5-hydroxy-2-furoyl)-CoA | ChEBI |