小分子和化合物库
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2-花生四烯酸甘油酯-d8CAS号: 924894-97-3 Compound CID : 5282280分子式: C23H30D8O4 分子量: 386.6SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
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克霉唑-d5CAS号: 1185076-41-8分子式: C22H12D5ClN2 分子量: 349.87IUPAC Name: 1-[(2-chlorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]imidazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4InChIKey: VNFPBHJOKIVQEB-MBRJKSRSSA-NInChI: 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,3D,4D,9D,10D
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氯化胆碱 d4 氯化物CAS号: 285979-70-6 Compound CID : 71309026分子式: C5H10D4ClNO 分子量: 143.65IUPAC Name: trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium;chlorideSMILES: [Cl-].[2H]C([2H])(O)C([2H])([2H])[N+](C)(C)CInChIKey: SGMZJAMFUVOLNK-HGFPCDIYSA-MInChI: 1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;
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L-丙氨酸-3,3,3-d₃CAS号: 63546-27-0分子式: C3H4D3NO2 分子量: 92.11IUPAC Name: (2S)-2-amino-3,3,3-trideuteriopropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-VGCLAIIRSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3
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L-亮氨酸-5,5,5-d₃CAS号: 87828-86-2分子式: CH3CH(CD3)CH2CH(NH2)CO2H 分子量: 134.19IUPAC Name: (2S)-2-amino-5,5,5-trideuterio-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-LONBSJBQSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5-
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DL-Cystine-d6CAS号: 352431-53-9分子式: C6H6D6N2O4S2 分子量: 246.34SMILES: NC(C(O)=O)([2H])C([2H])([2H])SSC([2H])([2H])C(N)([2H])C(O)=O
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