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CHEBI:15481 - 3-hydroxy-2-methylpropanoyl-CoA
| Formula | C25H42N7O18P3S |
| Net Charge | 0 |
| Average Mass | 853.631 |
| Monoisotopic Mass | 853.15199 |
| SMILES | CC(CO)C(=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 |
| InChI | InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,17-,18-,19+,23-/m1/s1 |
| InChIKey | WWEOGFZEFHPUAM-MIZDRFBCSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hydroxy-2-methylpropanoyl-CoA (CHEBI:15481) is a methylpropanoyl-CoA (CHEBI:25336) |
| 3-hydroxy-2-methylpropanoyl-CoA (CHEBI:15481) is conjugate acid of 3-hydroxy-2-methylpropanoyl-CoA(4−) (CHEBI:57340) |
| Incoming Relation(s) |
| 3-hydroxy-2-methylpropanoyl-CoA(4−) (CHEBI:57340) is conjugate base of 3-hydroxy-2-methylpropanoyl-CoA (CHEBI:15481) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate] |
| Synonyms | Source |
|---|---|
| 3-Hydroxy-2-methylpropanoyl-CoA | KEGG COMPOUND |
| 3-Hydroxy-2-methylpropionyl-CoA | KEGG COMPOUND |
| 3-Hydroxyisobutyryl coenzyme A | KEGG COMPOUND |
| 3-Hydroxyisobutyryl-CoA | KEGG COMPOUND |