小分子和化合物库
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5’-二磷酸鸟苷二钠分子式: C10H13N5O11P2Na2 分子量: 487.17IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphateSMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N=C(NC2=O)N.[Na+].[Na+]InChIKey: LTZCGDIGAHOTKN-LGVAUZIVSA-LInChI: See more
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6-姜烯酚分子式: C17H24O3 分子量: 276.37IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-oneSMILES: CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OCInChIKey: OQWKEEOHDMUXEO-BQYQJAHWSA-NInChI: 1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
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谷胱甘肽乙基酯CAS号: 92614-59-0分子式: C12H21N3O6S 分子量: 335.38IUPAC Name: (2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acidSMILES: CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)NInChIKey: JKRODHBGNBKZLE-YUMQZZPRSA-NInChI: 1S/C12H21N3O6S/c1-2-21-10(17)5-14-11(18)8(6-22)15-9(16)4-3-7(13)12(19)20/h7-8,22H,2-6,13H2,1H3,(H,14,18)(H,15,16)(H,19,20)/t7-,8-/m0/s1
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鸟苷-5'-三磷酸二钠盐(5′-GTP-Na2)分子式: C10H14N5Na2O14P3 分子量: 567.15IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphono phosphateSMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)O)O)O)N=C(NC2=O)N.[Na+].[Na+]InChIKey: FIZIYLKEXVIRHJ-LGVAUZIVSA-LInChI: See more
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赤霉素A4CAS号: 468-44-0分子式: C19H24O5 分子量: 332.39IUPAC Name: (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acidSMILES: CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)OInChIKey: RSQSQJNRHICNNH-NFMPGMCNSA-NInChI: 1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
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卵磷脂分子式: C42H80NO8P 分子量: 758.06IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)CInChIKey: JLPULHDHAOZNQI-ZTIMHPMXSA-NInChI: See more
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他唑巴坦钠盐CAS号: 89785-84-2 Compound CID : 23663400分子式: C10H11N4NaO5S 分子量: 322.27IUPAC Name: sodium;(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)[O-])CN3C=CN=N3.[Na+]InChIKey: RFMIKMMOLPNEDG-QVUDESDKSA-MInChI: 1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/q;+1/p-1/t7-,8+,10+;/m1./s1
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双(2-羟乙基)二硫化物CAS号: 1892-29-1分子式: C4H10O2S2 分子量: 154.24IUPAC Name: 2-(2-hydroxyethyldisulfanyl)ethanolSMILES: C(CSSCCO)OInChIKey: KYNFOMQIXZUKRK-UHFFFAOYSA-NInChI: 1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
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