小分子和化合物库

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  1. 热稳定无机焦磷酸酶
    CAS号: 9024-82-2        Compound CID : 168266391
      种属: 布氏栖热菌(Thermus brockianus)    Accession #: A0A1J0LV32    
      表达系统: E. coli    
      生物活性: ≥0.1 U/μL,单位定义:1个活性单位(U)是指在pH 7.2条件下,25℃反应30min,每分钟释放1.0μmole无机正磷酸盐所需要的酶量。    
    SMILES: CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)C.CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)OC(C)(C)C
  2. 维生素D₃(6,19,19-d₃)溶液
      规格或纯度 :
    • ≥97 atom% D,≥97%
    • 1mg/mL in ethanol
    CAS号: 80666-48-4        EC号: 200-673-2 (unlabeled)
    分子式: C27D3H41O        分子量: 387.66
    IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey: QYSXJUFSXHHAJI-GLSUUORTSA-N
    InChI: 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i3D2,13D
  3. 维生素D₃(6,19,19-d₃)溶液
      规格或纯度 :
    • ≥97 atom% D,≥97%
    • 100μg/mL in ethanol
    CAS号: 80666-48-4        EC号: 200-673-2 (unlabeled)
    分子式: C27D3H41O        分子量: 387.66
    IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey: QYSXJUFSXHHAJI-GLSUUORTSA-N
    InChI: 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i3D2,13D
  4. 皂素
    CAS号: 8047-15-2        Compound CID : 198016
    IUPAC Name: (2R,4S,5R,10S,13R,14R,18S,20R)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(2R,3R,4S,5S,6RSee more
    SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(CO5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C
    InChIKey: MAEBCGDGGATMSC-OSHGGGOQSA-N
    InChI: 1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-46(85-51-45(40(71)37(68)27(19-61)80-51)84-49-43(74)39(70)36(67)26(18-60)See more
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