3,5,7,9,11,13,15-Heptaoxohexadecanoic acid

Molecular Formula: C₃₇H₄₈N₇O₂₄P₃S^-4

InChI: InChI=1/C37H52N7O24P3S/c1-19(45)8-20(46)9-21(47)10-22(48)11-23(49)12-24(50)13-25(51)14-28(53)72-7-6-39-27(52)4-5-40-35(56)32(55)37(2,3)16-65-71(62,63)68-70(60,61)64-15-26-31(67-69(57,58)59)30(54)36(66-26)44-18-43-29-33(38)41-17-42-34(29)44/h17-18,26,30-32,36,54-55H,4-16H2,1-3H3,(H,39,52)(H,40,56)(H,60,61)(H,62,63)(H2,38,41,42)(H2,57,58,59)/p-4/t26-,30-,31-,32-,36-/m1/s1/fC37H48N7O24P3S/h39-40H,38H2/q-4

InChIKey: InChIKey=RIKSPNFZCJZDPZ-LZFMOOQMDX
SMILES: CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=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:
    nchembio805-comp4
    (2S)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-N-[2-[2-(3,5,7,9,11,13,15-heptaoxohexadecanoylsulfanyl)ethylcarbamoyl]ethyl]-2-hydroxy-3,3-dimethyl-butanamide
    3,5,7,9,11,13,15-Heptaoxohexadecanoic acid

Registries:
    PubChem CID 6857819
    PubChem ID 11538044