Compound Details

 Compound-ID 2266
 Common Name (R)-2-Methyl-3-oxopropanoyl-CoA
 Synonyms (R)-2-Methyl-3-oxopropionyl-CoA
(R)-3-Oxo-2-methylpropanoyl-CoA
(R)-Methylmalonyl-CoA
 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
 SMILES CC(C(O)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23
 External Links
 KEGG-COMPOUND-ID C01213
 PUBCHEM-ID 4435
 ChEBI-ID 15465
57326
313
18654
10976
 REACTOME-ID 71009
 METACYC-ID METHYL-MALONYL-COA
 METANETX-ID MNXM738783
 BioModels 15465


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