903131-67-9 Purity
96%
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The molecular formula of Alcohol dehydrogenase is C43H62N7O18P3S-4.
The molecular weight of Alcohol dehydrogenase is 1090.0 g/mol.
The IUPAC name of Alcohol dehydrogenase is [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxodocosa-7,10,13,16,19-pentaenoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]phosphate.
The InChI of Alcohol dehydrogenase is InChI=1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4.
The InChIKey of Alcohol dehydrogenase is SLYKKQSPRFJDAF-UHFFFAOYSA-J.
The canonical SMILES of Alcohol dehydrogenase is CCC=CCC=CCC=CCC=CCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O.
The CAS number of Alcohol dehydrogenase is 9031-72-5.
The EC number of Alcohol dehydrogenase is 232-870-4.
The XLogP3-AA value of Alcohol dehydrogenase is -0.3.
The hydrogen bond donor count of Alcohol dehydrogenase is 5.