小分子和化合物库
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(9E,12Z)-9,12-十四碳二烯-1-醇乙酸酯CAS号: 31654-77-0分子式: C16H28O2 分子量: 252.39IUPAC Name: [(9E,12Z)-tetradeca-9,12-dienyl] acetateSMILES: CC=CCC=CCCCCCCCCOC(=O)CInChIKey: ZZGJZGSVLNSDPG-WWVFNRLHSA-NInChI: 1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3-,7-6+
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3′-脱磷酸辅酶ACAS号: 3633-59-8分子式: C21H35N7O13P2S 分子量: 687.55IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphateSMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C(C(=O)NCCC(=O)NCCS)OInChIKey: KDTSHFARGAKYJN-IBOSZNHHSA-NInChI: See more
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2'-岩藻糖基乳糖CAS号: 41263-94-9 Compound CID : 170484分子式: C18H32O15 分子量: 488.44IUPAC Name: (2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanalSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC(C(CO)O)C(C(C=O)O)O)CO)O)O)O)O)OInChIKey: HWHQUWQCBPAQQH-BWRPKUOHSA-NInChI: 1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1
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毒藜碱CAS号: 13078-04-1分子式: C10H14N2 分子量: 162.23IUPAC Name: 3-piperidin-2-ylpyridineSMILES: C1CCNC(C1)C2=CN=CC=C2InChIKey: MTXSIJUGVMTTMU-UHFFFAOYSA-NInChI: 1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
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11-巯基十一烷基磷酸CAS号: 188678-49-1分子式: C11H25O4PS 分子量: 284.35IUPAC Name: 11-sulfanylundecyl dihydrogen phosphateSMILES: C(CCCCCOP(=O)(O)O)CCCCCSInChIKey: XPYXJSSCWCSOFO-UHFFFAOYSA-NInChI: 1S/C11H25O4PS/c12-16(13,14)15-10-8-6-4-2-1-3-5-7-9-11-17/h17H,1-11H2,(H2,12,13,14)
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2-酮基-3-(甲基-¹³C)-丁酸-4-¹³C 酸钠盐CAS号: 634908-42-2分子式: 13CH3CH(13CH3)COCO2Na 分子量: 140.08IUPAC Name: sodium;3-(113C)methyl-2-oxo(413C)butanoateSMILES: CC(C)C(=O)C(=O)[O-].[Na+]InChIKey: WIQBZDCJCRFGKA-AWQJXPNKSA-MInChI: 1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1;
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3, 3'-二碘-L-甲状腺素-(苯氧基-¹³C₆) (T2) 盐酸盐CAS号: 1217459-13-6分子式: C913C6H13I2NO4 分子量: 531.03IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3-iodophenyl]propanoic acidSMILES: C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)IInChIKey: CPCJBZABTUOGNM-USQDWSSZSA-NInChI: 1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1/i2+1,3+1,7+1,9+1,10+1,13+1
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L-缬氨酸-¹³C₅CAS号: 55443-52-2分子式: (13CH3)213CH13CH(NH2)13COOH 分子量: 122.11SMILES: [13CH3][13CH]([13CH3])[13C@H](N)[13C](O)=OInChIKey: KZSNJWFQEVHDMF-JRGPAWSWSA-NInChI: 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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