小分子和化合物库

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  1. β-烟酰胺腺嘌呤二核苷酸 水合物
    CAS号: 53-84-9        EC号: 200-184-4
    分子式: C21H27N7O14P2 · xH2O        分子量: 663.43 (anhydrous basis)
    IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
    SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
    InChIKey: BAWFJGJZGIEFAR-NNYOXOHSSA-N
    InChI: 1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-See more
  2. 二十烷酸-d₃₉酸
      规格或纯度 :
    • ≥98 atom% D,≥97%
    CAS号: 39756-32-6
    分子式: CD3(CD2)18COOH        分子量: 351.77
    IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-nonatriacontadeuterioicosanoic acid
    SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O
    InChIKey: VKOBVWXKNCXXDE-BKDZISOFSA-N
    InChI: 1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2
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