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CHEBI:15465 - (R)-methylmalonyl-CoA
| Formula | C25H40N7O19P3S |
| Net Charge | 0 |
| Average Mass | 867.614 |
| Monoisotopic Mass | 867.13125 |
| SMILES | C[C@H](C(=O)O)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/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1 |
| InChIKey | MZFOKIKEPGUZEN-AGCMQPJKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Roles: | acyl donor Any donor that can transfer acyl groups between molecular entities. acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-methylmalonyl-CoA (CHEBI:15465) has functional parent coenzyme A (CHEBI:15346) |
| (R)-methylmalonyl-CoA (CHEBI:15465) has role mouse metabolite (CHEBI:75771) |
| (R)-methylmalonyl-CoA (CHEBI:15465) is a methylmalonyl-CoA (CHEBI:16625) |
| (R)-methylmalonyl-CoA (CHEBI:15465) is conjugate acid of (R)-methylmalonyl-CoA(5−) (CHEBI:57326) |
| Incoming Relation(s) |
| (R)-methylmalonyl-CoA(5−) (CHEBI:57326) is conjugate base of (R)-methylmalonyl-CoA (CHEBI:15465) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| METHYLMALONYL-COENZYME A | PDBeChem |
| (R)-2-Methyl-3-oxopropanoyl-CoA | KEGG COMPOUND |
| (R)-2-Methyl-3-oxopropionyl-CoA | KEGG COMPOUND |
| (R)-3-Oxo-2-methylpropanoyl-CoA | KEGG COMPOUND |
| (R)-Methylmalonyl-CoA | KEGG COMPOUND |