小分子和化合物库
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溴化乙锭(EB)CAS号: 1239-45-8分子式: C21H20BrN3 分子量: 394.32IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromideSMILES: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]InChIKey: ZMMJGEGLRURXTF-UHFFFAOYSA-NInChI: 1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H
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N-羟乙酰神经氨酸(Neu5Gc)CAS号: 1113-83-3分子式: C11H19NO10 分子量: 325.27IUPAC Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidSMILES: C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)NC(=O)CO)OInChIKey: FDJKUWYYUZCUJX-AJKRCSPLSA-NInChI: 1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
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E. coli heat-stable enterotoxin (STa), 三氟乙酸盐CAS号: 118447-40-8(free base)分子式: C79H112N22O30S6(free base) 分子量: 2042.25(free base)
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变蓝菌素CAS号: 17397-89-6 EC号: 241-424-8分子式: C12H17NO3 分子量: 223.27IUPAC Name: (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamideSMILES: CC=CCC=CCCC(=O)C1C(O1)C(=O)NInChIKey: GVEZIHKRYBHEFX-NQQPLRFYSA-NInChI: 1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
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