METHYLMALONYL-COENZYME A

Molecular Formula: C₂₅H₄₀N₇O₁₉P₃S

InChI: InChI=1/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/f/h27-28,37,40-41,43,45H,26H2

InChIKey: InChIKey=MZFOKIKEPGUZEN-DELJCQDWDN
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]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23

Names:
    CHEBI:15465
    methylmalonyl-coenzyme A
    METHYLMALONYL-COENZYME A
    (R)-methylmalonyl-CoA
    (R)-Methylmalonyl-CoA
    (R)-methylmalonyl-CoA
    (R)-2-Methyl-3-oxopropanoyl-CoA
    (R)-2-methyl-3-oxopropanoyl-CoA
    (R)-2-Methyl-3-oxopropanoyl-CoA
    (R)-2-Methyl-3-oxopropionyl-CoA
    (R)-3-Oxo-2-methylpropanoyl-CoA
    (2R)-2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]propanoic acid
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl

Registries:
    PubChem CID 449534
    ChEBI 15465
    chemPDB MCA
    Kegg C01213
    PubChem ID 4435
    PubChem ID 8143340