dephospho-CoA

Molecular Formula: C₂₁H₃₅N₇O₁₃P₂S

InChI: InChI=1/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1/f/h23-24,34,36H,22H2

InChIKey: InChIKey=KDTSHFARGAKYJN-SZFLODLPDZ
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCS

Names:
    adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl
    CHEBI:15468
    dephospho-CoA
    Dephospho-CoA
    dephospho-CoA
    3'-dephospho-CoA
    3'-dephospho-CoA
    3-dephospho-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphinic acid

Registries:
    PubChem CID 444485
    ChEBI 15468
    Kegg C00882
    PubChem ID 4138
    PubChem ID 8143337