(Hydroxymethylphenyl)succinyl-CoA

Molecular Formula: C₃₂H₄₅N₇O₂₀P₃S^-

InChI: InChI=1/C32H46N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,23-26,30,43-45H,8-14H2,1-2H3,(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/t18u,19-,23?,24-,25-,26+,30-/m1/s1/fC32H45N7O20P3S/h34-35,48-49,51,53H,33H2/q-1

InChIKey: InChIKey=DVSQFPLMOLPRDU-GMLKQGJVDA
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(C4=CC=CC=C4)O)O

Names:
    c0343
    (Hydroxymethylphenyl)succinyl-CoA
    3-[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]-4-hydroxy-4-phenyl-butanoate

Registries:
    PubChem CID 9543009
    PubChem ID 14709033