Naphthyl-2-oxomethyl-succinyl-CoA

Molecular Formula: C₃₆H₄₆N₇O₂₀P₃S

InChI: InChI=1/C36H46N7O20P3S/c1-36(2,30(49)33(50)39-10-9-24(44)38-11-12-67-35(51)22(14-25(45)46)27(47)21-8-7-19-5-3-4-6-20(19)13-21)16-60-66(57,58)63-65(55,56)59-15-23-29(62-64(52,53)54)28(48)34(61-23)43-18-42-26-31(37)40-17-41-32(26)43/h3-8,13,17-18,22-23,28-30,34,48-49H,9-12,14-16H2,1-2H3,(H,38,44)(H,39,50)(H,45,46)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t22u,23-,28-,29-,30?,34-/m1/s1/f/h38-39,45,52-53,55,57H,37H2

InChIKey: InChIKey=GXAPHCAQTPKOBU-YCEMZMJMDQ
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)C(CC(=O)O)C(=O)C4=CC5=CC=CC=C5C=C4)O

Names:
    C14119
    Naphthyl-2-oxomethyl-succinyl-CoA
    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]-4-naphthalen-2-yl-4-oxo-butanoic acid

Registries:
    PubChem CID 656890
    PubChem ID 854355