小分子和化合物库
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D-(-)-3-磷酸甘油二钠盐CAS号: 80731-10-8分子式: C3H5O7P・2Na 分子量: 230.02IUPAC Name: disodium;(2R)-2-hydroxy-3-[hydroxy(oxido)phosphoryl]oxypropanoateSMILES: [Na+].[Na+].O[C@H](COP(O)([O-])=O)C([O-])=OInChIKey: RGCJWQYUZHTJBE-YBBRRFGFSA-LInChI: 1S/C3H7O7P.2Na/c4-2(3(5)6)1-10-11(7,8)9;;/h2,4H,1H2,(H,5,6)(H2,7,8,9);;/q;2*+1/p-2/t2-;;/m1../s1
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埃卡瑞丁CAS号: 119515-38-7 Compound CID : 125098分子式: C12H23NO3 分子量: 229.32IUPAC Name: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylateSMILES: CCC(C)OC(=O)N1CCCCC1CCOInChIKey: QLHULAHOXSSASE-UHFFFAOYSA-NInChI: 1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3
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腺苷5'-二磷酸核糖钠盐CAS号: 68414-18-6 Compound CID : 16218837分子式: C15H23N5O14P2・xNa 分子量: 559.32 (non-salt)SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(C(C=O)O)O)O)O)O)N.[Na]InChIKey: LVIWKNSMPKNKBI-UHFFFAOYSA-NInChI: 1S/C15H23N5O14P2.Na/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21;/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18);
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3-(4-氯苯基)-N,N-二甲基-3-(吡啶-2-基)丙-1-胺CAS号: 132-22-9分子式: C16H19ClN2 分子量: 274.79IUPAC Name: 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amineSMILES: CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2InChIKey: SOYKEARSMXGVTM-UHFFFAOYSA-NInChI: 1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
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(-)-α-没药醇CAS号: 23089-26-1分子式: C15H26O 分子量: 222.37IUPAC Name: (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-olSMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)OInChIKey: RGZSQWQPBWRIAQ-CABCVRRESA-NInChI: 1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
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N-乙酰基-2,3-脱氢-2-脱氧神经氨酸CAS号: 24967-27-9分子式: C11H17NO8 分子量: 291.26IUPAC Name: (2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acidSMILES: CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=OInChIKey: JINJZWSZQKHCIP-UFGQHTETSA-NInChI: 1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
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异绿原酸BCAS号: 14534-61-3 EC号: 874-682-0分子式: C25H24O12 分子量: 516.46IUPAC Name: (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acidSMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OInChIKey: UFCLZKMFXSILNL-PSEXTPKNSA-NInChI: See more
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ODN 1585CAS号: 386832-46-8分子量: 6430.00SMILES: [DNA, d(G-sp-G-G-G-T-C-A-A-C-G-T-T-G-A-G-G-sp-G-sp-G-sp-G-sp-G)]
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ODN 2007CAS号: 455348-63-7分子量: 6852.50SMILES: [DNA, d(P-thio)(T-C-G-T-C-G-T-T-G-T-C-G-T-T-T-T-G-T-C-G-T-T)]
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ODN M362CAS号: 934655-87-5分子量: 8049.50SMILES: [DNA, d(P-thio)(T-C-G-T-C-G-T-C-G-T-T-C-G-A-A-C-G-A-C-G-T-T-G-A-T)]
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