Coenzyme A-glutathione mixed disulfide

Molecular Formula: C₃₁H₅₁N₁₀O₂₂P₃S₂

InChI: InChI=1/C31H51N10O22P3S2/c1-31(2,24(47)28(49)35-6-5-18(42)34-7-8-67-68-11-16(27(48)36-9-20(44)45)40-19(43)4-3-15(32)30(50)51)12-60-66(57,58)63-65(55,56)59-10-17-23(62-64(52,53)54)22(46)29(61-17)41-14-39-21-25(33)37-13-38-26(21)41/h13-17,22-24,29,46-47H,3-12,32H2,1-2H3,(H,34,42)(H,35,49)(H,36,48)(H,40,43)(H,44,45)(H,50,51)(H,55,56)(H,57,58)(H2,33,37,38)(H2,52,53,54)/t15-,16-,17+,22+,23+,24?,29+/m0/s1/f/h34-36,40,44,50,52-53,55,57H,33H2

InChIKey: InChIKey=JYKWMJBUIXNJOG-KMFPKPAIDV
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)NCCSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

Names:
    CoA-glutathione
    Coenzyme A-glutathione mixed disulfide
    C00920
    (2S)-2-amino-4-[[(1S)-2-[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]ethyldisulfanyl]-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid
    6477-52-7

Registries:
    PubChem CID 11953788
    PubChem ID 4174