2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA

Molecular Formula: C₃₁H₅₀N₇O₁₈P₃S

InChI: InChI=1/C31H50N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18,20,23-25,29,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18u,20-,23-,24-,25?,29-/m1/s1/f/h33-34,45-46,48,50H,32H2

InChIKey: InChIKey=ZDNHBFFDLIHLER-YVHXDIACDO
SMILES: CC(C)C(=C)CC(=O)C(C)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:
    C11948
    2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-(2,6-dimethyl-5-methylidene-3-oxo-heptanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 443526
    PubChem ID 14109