小分子和化合物库
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胞苷5′-三磷酸二钠盐水合物CAS号: 652154-13-7 Compound CID : 16211931分子式: C9H16N3Na2O15P3 分子量: 545.14IUPAC Name: disodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrateSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O.O.[Na+].[Na+]InChIKey: IJMSOWKYYIROGP-LLWADOMFSA-LInChI: See more
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潮霉素BCAS号: 31282-04-9分子式: C20H37N3O13 分子量: 527.52IUPAC Name: See moreSMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)NInChIKey: GRRNUXAQVGOGFE-XKIAHZFYSA-NInChI: See more
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PARPi-FL,荧光PARP抑制剂CAS号: 1380359-84-1 Compound CID : 70697686分子式: C34H32BF3N6O3 分子量: 640.46IUPAC Name: 4-[[3-[4-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-oneSMILES: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)N4CCN(CC4)C(=O)C5=C(C=CC(=C5)CC6=NNC(=O)C7=CC=CC=C76)F)C)C)(F)FInChIKey: IGUTVNUEFKPBGK-UHFFFAOYSA-NInChI: See more
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潮霉素BCAS号: 31282-04-9分子式: C20H37N3O13 分子量: 527.52IUPAC Name: See moreSMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)NInChIKey: GRRNUXAQVGOGFE-XKIAHZFYSA-NInChI: See more
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桑黄素CAS号: 480-16-0分子式: C15H10O7 分子量: 302.24IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-oneSMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: YXOLAZRVSSWPPT-UHFFFAOYSA-NInChI: 1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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(−)-表儿茶素分子式: C15H14O6 分子量: 290.27IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triolSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OInChIKey: PFTAWBLQPZVEMU-UKRRQHHQSA-NInChI: 1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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20-羧基白三烯B4CAS号: 80434-82-8 Compound CID : 5280877分子式: C20H30O6 分子量: 366.45IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acidSMILES: C(CCC(=O)O)CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)OInChIKey: SXWGPVJGNOLNHT-VFLUTPEKSA-NInChI: 1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
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L-丝氨酸-¹³C₃,¹⁵NCAS号: 202407-34-9 Compound CID : 71310240分子式: (¹³C)₃H₇(₁₅N)O₃ 分子量: 109.06SMILES: [13CH2]([C@@H]([13C](=O)O)[15NH2])O
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L-天冬氨酸-¹³C₄,¹⁵NCAS号: 202468-27-7分子式: HO213C13CH213CH(15NH2)13CO2H 分子量: 138.07IUPAC Name: (2S)-2-(15N)azanyl(1,2,3,4-13C4)butanedioic acidSMILES: C(C(C(=O)O)N)C(=O)OInChIKey: CKLJMWTZIZZHCS-NYTNKSBQSA-NInChI: 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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丙二酰辅酶A锂盐CAS号: 108347-84-8分子式: C24H38N7O19P3S • XLi 分子量: 853.58 (free acid basis)SMILES: [Li].CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)OInChIKey: OPIJLICRFQMMJH-UHFFFAOYSA-NInChI: See more
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原卟啉IX二钠盐CAS号: 50865-01-5 Compound CID : 71484分子式: C34H32N4Na2O4 分子量: 606.63IUPAC Name: disodium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoateSMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])C=C.[Na+].[Na+]InChIKey: GPRXGEKBQVXWAQ-UHFFFAOYSA-LInChI: See more
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