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CHEBI:15486 - 3-methylbut-2-enoyl-CoA
| Formula | C26H42N7O17P3S |
| Net Charge | 0 |
| Average Mass | 849.643 |
| Monoisotopic Mass | 849.15707 |
| SMILES | CC(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 |
| InChI | InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1 |
| InChIKey | BXIPALATIYNHJN-ZMHDXICWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) has functional parent but-2-enoyl-CoA (CHEBI:36926) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) has role mouse metabolite (CHEBI:75771) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) is a 2-enoyl-CoA (CHEBI:19573) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) is a methyl-branched fatty acyl-CoA (CHEBI:25271) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) is a monounsaturated fatty acyl-CoA (CHEBI:139575) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) is a short-chain fatty acyl-CoA (CHEBI:61905) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) is conjugate acid of 3-methylbut-2-enoyl-CoA(4−) (CHEBI:57344) |
| Incoming Relation(s) |
| 3-methylbut-2-enoyl-CoA(4−) (CHEBI:57344) is conjugate base of 3-methylbut-2-enoyl-CoA (CHEBI:15486) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3,3-dimethacrylyl-CoA | ChEBI |
| 3,3-dimethacrylyl-coenzyme A | ChEBI |
| 3-Methylbut-2-enoyl-CoA | KEGG COMPOUND |
| 3-Methylcrotonoyl-CoA | KEGG COMPOUND |
| 3-Methylcrotonyl-CoA | KEGG COMPOUND |
| Dimethylacryloyl-CoA | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C03069 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:78242 | Reaxys |
| Citations |
|---|