小分子和化合物库
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4-吡哆酸-d3CAS号: 1435934-03-4 Compound CID : 117064439分子式: C8H6D3NO4 分子量: 186.18IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridine-4-carboxylic acidSMILES: CC1=NC=C(C(=C1O)C(=O)O)COInChIKey: HXACOUQIXZGNBF-FIBGUPNXSA-NInChI: 1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)/i1D3
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L-甲硫氨酸-¹³C₅,¹⁵NCAS号: 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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核黄素-(二氧嘧啶-¹³C₄,¹⁵N₂)CAS号: 1217461-14-7 Compound CID : 493570分子量: 382.32SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)OInChIKey: AUNGANRZJHBGPY-HAIGJTSVSA-NInChI: 1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1/i13+1,15+1,16+1,17+1,19+1,20+1
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溴化十六烷基三甲铵(CTAB)分子式: C19H42BrN 分子量: 364.45IUPAC Name: hexadecyl(trimethyl)azanium;bromideSMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]InChIKey: LZZYPRNAOMGNLH-UHFFFAOYSA-MInChI: 1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
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