3-Isopropenylpimelyl-CoA

Molecular Formula: C31H49N7O19P3S-


InChI: InChI=1/C31H50N7O19P3S/c1-17(2)18(12-21(40)41)6-5-7-22(42)61-11-10-33-20(39)8-9-34-29(45)26(44)31(3,4)14-54-60(51,52)57-59(49,50)53-13-19-25(56-58(46,47)48)24(43)30(55-19)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,18-19,24-26,30,43-44H,1,5-14H2,2-4H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-1/t18u,19-,24-,25-,26+,30-/m1/s1/fC31H49N7O19P3S/h33-34,46-47,49,51H,32H2/q-1

InChIKey: InChIKey=AAKIIQMDPGWYFD-YLLVTLLSDO
SMILES: CC(=C)C(CCCC(=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)CC(=O)[O-]

Names:
    c0686
    3-Isopropenylpimelyl-CoA
    6-[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]-3-prop-1-en-2-yl-hexanoate

Registries:
    PubChem CID 9543046
    PubChem ID 14709112