小分子和化合物库

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  1. 硫酸奎宁荧光标准物质
    CAS号: 6119-70-6        Compound CID : 16211610
    分子式: C40H48N4O4.H2SO4.2H2O        分子量: 782.95
    IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
    SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
    InChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-N
    InChI: 1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;See more
  2. L-酪氨酸-¹³C₉
      规格或纯度 :
    • ≥98 atom% 13C,≥95%
    CAS号: 55443-60-2
    分子式: 4-(HO)13C6H413CH213CH(NH2)13CO2H        分子量: 190.12
    IUPAC Name: (2S)-2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acid
    SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
    InChIKey: OUYCCCASQSFEME-ZNZHEFIISA-N
    InChI: 1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
  3. 油酸-¹³C₁₈
      规格或纯度 :
    • ≥98 atom% 13C,≥95%
    CAS号: 287100-82-7
    分子式: 13CH3(13CH2)713CH=13CH(13CH2)713CO2H        分子量: 300.33
    IUPAC Name: (Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadec-9-enoic acid
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
    InChIKey: ZQPPMHVWECSIRJ-IGBBIXMTSA-N
    InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1
  4. 细胞色素 C 来源于马心脏
    CAS号: 9007-43-6        Compound CID : 16057918
    IUPAC Name: 3-[8,13-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)
    SMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)SCC(C(=O)NC)N)C)C(C)SCC(C(=O)NC)N)C)CCC(=O)O)CCC(=O)O.[Fe+2]
    InChIKey: WFVBWSTZNVJEAY-UHFFFAOYSA-L
    InChI: 1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;See more
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