Adipyl-CoA

Molecular Formula: C27H43N7O19P3S-


InChI: InChI=1/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-1/t15-,20-,21-,22+,26-/m1/s1/fC27H43N7O19P3S/h29-30,42-43,45,47H,28H2/q-1

InChIKey: InChIKey=SPNAEHGLBRRCGL-XTAQAVTHDP
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)CCCCC(=O)[O-])O

Names:
    Adipyl-CoA
    c0942
    5-Carboxypentanoyl-CoA
    5-[2-[3-[[(2R)-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]pentanoate

Registries:
    PubChem CID 9543332
    PubChem ID 14709848