小分子和化合物库
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β-烟酰胺腺嘌呤二核苷酸磷酸CAS号: 53-59-8分子式: C21H28N7O17P3 分子量: 743.41IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphateSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)NInChIKey: XJLXINKUBYWONI-NNYOXOHSSA-NInChI: See more
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牛磺脱氧胆酸钠CAS号: 1180-95-6分子式: C26H44NNaO6S 分子量: 521.69IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonateSMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]InChIKey: YXHRQQJFKOHLAP-FVCKGWAHSA-MInChI: See more
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Goralatide,造血祖细胞周期抑制剂CAS号: 120081-14-3分子式: C20H33N5O9 分子量: 487.51IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acidSMILES: CC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)OInChIKey: HJDRXEQUFWLOGJ-AJNGGQMLSA-NInChI: See more
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β-Amanitin,霉菌毒素CAS号: 21150-22-1分子式: C39H53N9O15S 分子量: 919.95IUPAC Name: See moreSMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)OInChIKey: IEQCUEXVAPAFMQ-UHFFFAOYSA-NInChI: See more
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鸟苷5′-γ-硫代三磷酸 四锂盐CAS号: 94825-44-2 Compound CID : 135445735分子式: C10H16N5O13P3S • 4Li 分子量: 567IUPAC Name: tetralithium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphateSMILES: [Li+].[Li+].[Li+].[Li+].C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N=C(NC2=O)NInChIKey: AMQXJFWJOAWCPV-ZVQJTLEUSA-JInChI: See more
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Fusicoccin,真菌化脓毒素CAS号: 20108-30-9分子式: C36H56O12 分子量: 680.82IUPAC Name: See moreSMILES: CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COCInChIKey: KXTYBXCEQOANSX-WYKQKOHHSA-NInChI: See more
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光溜海绵素CCAS号: 88903-69-9 Compound CID : 5311502分子式: C28H50N2O2 分子量: 446.72IUPAC Name: (1R,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontaneSMILES: C1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1InChIKey: PQYOPBRFUUEHRC-MUJQFDPKSA-NInChI: 1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m0/s1
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三半乳糖醛酸分子式: C18H26O19 分子量: 546.39IUPAC Name: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(1S,2R,3R,4R)-1-carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidSMILES: C(=O)C(C(C(C(C(=O)O)O)OC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O)O)O)OInChIKey: FMNDXLWVYMQMHF-XKLWFNJZSA-NInChI: See more
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