malyl-CoA

Molecular Formula: C₂₅H₄₀N₇O₂₀P₃S

InChI: InChI=1/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13+,17+,18+,19?,23+/m0/s1/f/h27-28,39,41-42,44,46H,26H2

InChIKey: InChIKey=HJQWLHMLMCDAEL-UUJKMNAQDT
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C(=O)O)O)O

Names:
    C04348
    L-Malyl-CoA
    malyl-CoA
    (2S)-3-[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]-2-hydroxy-propanoic acid
    (3S)-3-Carboxy-3-hydroxypropanoyl-CoA
    (3S)-3-Carboxy-3-hydroxypropionyl-CoA

Registries:
    PubChem CID 440302
    PubChem ID 6997