methylmalonyl-CoA

[1. An intermediate in the degradation of several metabolites (valine, methionine, odd-chain fatty acids, theronine); elevated in cases of pernicious anemia.

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)/t12u,13-,16-,17-,18?,22-/m1/s1/f/h27-28,37,40-41,43,45H,26H2

InChIKey: InChIKey=MZFOKIKEPGUZEN-VIDXQADEDH
SMILES: CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

Names:
    C02557
    Methylmalonyl coenzyme A
    methylmalonyl-CoA
    1264-45-5
    2-Methylmalonyl-CoA
    2-[2-[3-[[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

Registries:
    PubChem CID 439754
    PubChem ID 5558