小分子和化合物库
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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-苏氨酸-¹³C₄,¹⁵NCAS号: 202468-39-1分子式: 13CH313CH(OH)13CH(15NH2)13CO2H 分子量: 124.08IUPAC Name: (2R,3S)-2-(15N)azanyl-3-hydroxy(1,2,3,4-13C4)butanoic acidSMILES: CC(C(C(=O)O)N)OInChIKey: AYFVYJQAPQTCCC-CZMGFAMSSA-NInChI: 1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1/i1+1,2+1,3+1,4+1,5+1
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L-谷氨酰胺-¹³C₅,¹⁵N₂CAS号: 285978-14-5分子式: 13C5H1015N2O3 分子量: 153.09SMILES: [13CH2]([13CH2][13C](=O)[15NH2])[13C@@H]([13C](=O)O)[15NH2]
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雌酮-2,4,16,16-d₄ 3-硫酸钠盐CAS号: 285979-80-8分子式: C18H22O5S 分子量: 354.5IUPAC Name: [(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfateSMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)OInChIKey: JKKFKPJIXZFSSB-QSPUTOQOSA-NInChI: 1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D
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