小分子和化合物库
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二甲胺四环素盐酸盐分子式: C23H27N3O7.HCl 分子量: 493.94IUPAC Name: (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochlorideSMILES: CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.ClInChIKey: WTJXVDPDEQKTCV-VQAITOIOSA-NInChI: 1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1
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N-甘氨酰-L-酪氨酸二水合物CAS号: 39630-46-1 Compound CID : 57349699分子式: C11H18N2O6 分子量: 274.27IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid;dihydrateSMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O.O.OInChIKey: VELZBUAWAUZDLF-WWPIYYJJSA-NInChI: 1S/C11H14N2O4.2H2O/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7;;/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17);2*1H2/t9-;;/m0../s1
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硫酸腺嘌呤分子式: C10H10N10•H2SO4 分子量: 368.34IUPAC Name: 7H-purin-6-amine;sulfuric acidSMILES: C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.OS(=O)(=O)OInChIKey: LQXHSCOPYJCOMD-UHFFFAOYSA-NInChI: 1S/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)
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磷酸吡哆醛(PLP)CAS号: 54-47-7分子式: C8H10NO6P 分子量: 247.14IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphateSMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OInChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-NInChI: 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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γ-环糊精CAS号: 17465-86-0 EC号: 241-482-4分子式: C48H80O40 分子量: 1297.12IUPAC Name: See moreSMILES: C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)OInChIKey: GDSRMADSINPKSL-HSEONFRVSA-NInChI: See more
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鸟嘌呤核苷CAS号: 118-00-3分子式: C10H13N5O5 分子量: 283.24IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-oneSMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)NInChIKey: NYHBQMYGNKIUIF-UUOKFMHZSA-NInChI: 1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
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谷胱甘肽(还原型)(GSH)分子式: C10H17N3O6S 分子量: 307.32IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acidSMILES: C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)NInChIKey: RWSXRVCMGQZWBV-WDSKDSINSA-NInChI: 1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
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