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小分子和化合物库
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Pitstop 2-100-阴性对照分子式: C24H19BrN2OS 分子量: 463.39
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儿茶酚-d4CAS号: 103963-58-2分子式: C6H2D4O2 分子量: 114.14IUPAC Name: 3,4,5,6-tetradeuteriobenzene-1,2-diolSMILES: C1=CC=C(C(=C1)O)OInChIKey: YCIMNLLNPGFGHC-RHQRLBAQSA-NInChI: 1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1D,2D,3D,4D
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尿苷-5,6-d2CAS号: 40632-21-1分子式: C9H10D2N2O6 分子量: 246.21IUPAC Name: 5,6-dideuterio-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneSMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OInChIKey: DRTQHJPVMGBUCF-TTYVMISXSA-NInChI: 1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6+,7?,8-/m1/s1/i1D,2D
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25-羟基维生素 D₂ (6,19,19-d₃)CAS号: 1217467-39-4 Compound CID : 71310751分子式: C28D3H41O2 分子量: 415.67IUPAC Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-olSMILES: [2H]/C([2H])=C1CC[C@H](O)CC\1=C([2H])\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)\C=C\[C@H](C)C(C)(C)OInChIKey: KJKIIUAXZGLUND-ABHIMYCLSA-NInChI: See more
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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L-丙氨酸-¹³C₃,¹⁵NCAS号: 202407-38-3分子式: 13CH313CH(15NH2)13CO2H 分子量: 93.06IUPAC Name: (2S)-2-(15N)azanyl(1,2,3-13C3)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-UVYXLFMMSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1,4+1
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L-Kynurenine-d4CAS号: 2672568-86-2分子式: C10H8D4N2O3 分子量: 212.24SMILES: O=C([C@H](C([2H])([2H])C(C1=CC([2H])=CC([2H])=C1N)=O)N)O
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DMT-2′Fluoro-dU PhosphoramiditeCAS号: 146954-75-8 EC号: 890-263-5分子式: C39H46FN4O8P 分子量: 748.78IUPAC Name: 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrileSMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1F)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OCInChIKey: HQHQPAYRJJMYQX-DJTPZYMWSA-NInChI: See more
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羟利培酮-D4CAS号: 1020719-55-4 EC号: 200-659-6分子式: C23D4H23FN4O3 分子量: 430.51IUPAC Name: 9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: PMXMIIMHBWHSKN-FJVJJXCISA-NInChI: 1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/i8D2,12D2
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DL-肉碱盐酸盐-d9CAS号: 1219386-75-0分子式: C7H7D9ClNO3 分子量: 206.72IUPAC Name: (3-carboxy-2-hydroxypropyl)-tris(trideuteriomethyl)azanium;chlorideSMILES: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]InChIKey: JXXCENBLGFBQJM-KYRNGWDOSA-NInChI: 1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/i1D3,2D3,3D3;
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伊达拉奉-d5CAS号: 1228765-67-0分子式: C10D5H5N2O 分子量: 179.23IUPAC Name: 5-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-4H-pyrazol-3-oneSMILES: CC1=NN(C(=O)C1)C2=CC=CC=C2InChIKey: QELUYTUMUWHWMC-VIQYUKPQSA-NInChI: 1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3/i2D,3D,4D,5D,6D
