3-Hydroxy-3-isohexeneylglutaryl-CoA

Molecular Formula: C₃₂H₅₁N₇O₂₀P₃S^-

InChI: InChI=1/C32H52N7O20P3S/c1-18(2)6-5-8-32(47,12-21(41)42)13-22(43)63-11-10-34-20(40)7-9-35-29(46)26(45)31(3,4)15-56-62(53,54)59-61(51,52)55-14-19-25(58-60(48,49)50)24(44)30(57-19)39-17-38-23-27(33)36-16-37-28(23)39/h6,16-17,19,24-26,30,44-45,47H,5,7-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/p-1/t19-,24-,25-,26-,30-,32?/m1/s1/fC32H51N7O20P3S/h34-35,48-49,51,53H,33H2/q-1

InChIKey: InChIKey=ATTJZXQHBIJXLV-VGPIOLLHDY
SMILES: CC(=CCCC(CC(=O)[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)O)C

Names:
    c1034
    3-Hydroxy-3-isohexeneylglutaryl-CoA
    3-[2-[3-[[(2S)-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]ethylsulfanylcarbonylmethyl]-3-hydroxy-7-methyl-oct-6-enoate

Registries:
    PubChem CID 9549323
    PubChem ID 14720406