小分子和化合物库
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Pladienolide B,mRNA剪接抑制剂CAS号: 445493-23-2分子式: C30H48O8 分子量: 536.70IUPAC Name: [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetateSMILES: CCC(C(C)C1C(O1)CC(C)C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)OInChIKey: SDOUORKJIJYJNW-QHOUZYGJSA-NInChI: See more
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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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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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β-烟酰胺腺嘌呤二核苷酸(NAD)分子式: C21H27N7O14P2 · xH2O 分子量: 663.43 (anhydrous basis)IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-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)O)O)O)O)C(=O)NInChIKey: BAWFJGJZGIEFAR-NNYOXOHSSA-NInChI: See more
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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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牛磺胆酸 钠盐 水合物CAS号: 345909-26-4 EC号: 205-653-7分子式: C26H44NNaO7S · xH2O 分子量: 537.68 (anhydrous basis)IUPAC Name: See moreSMILES: [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=OInChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-MInChI: See more
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亮肽素CAS号: 103476-89-7 Compound CID : 2733491分子式: C20H38N6O4·1/2(H2SO4) 分子量: 475.59IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide;sulfuric acidSMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.OS(=O)(=O)OInChIKey: CIPMKIHUGVGQTG-VFFZMTJFSA-NInChI: See more
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