小分子和化合物库
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1-十八烷酰基-sn-甘油-3-磷酸-(1′rac甘油)(钠盐)CAS号: 326495-21-0 Compound CID : 131675262分子式: C20H40O9PNa 分子量: 478.49IUPAC Name: sodium;2,3-dihydroxypropyl [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] phosphateSMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O.[Na+]InChIKey: VMHJESQIJHKLBB-SQTGWKPBSA-MInChI: 1S/C20H41O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21;/h18-19,21-23H,2-17H2,1H3,(H,25,26);/q;+1/p-1/t18?,19-;/m1./s1
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氢化磷脂酰胆碱CAS号: 97281-48-6IUPAC Name: 2,3-di(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCInChIKey: NRJAVPSFFCBXDT-UHFFFAOYSA-NInChI: 1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3
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结晶紫CAS号: 548-62-9分子式: C25H30N3Cl 分子量: 407.98IUPAC Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]InChIKey: ZXJXZNDDNMQXFV-UHFFFAOYSA-MInChI: 1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
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磷酸泰乐菌素分子式: C46H77NO17·H3PO4 分子量: 1014.1IUPAC Name: See moreSMILES: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.OP(=O)(O)OInChIKey: NBOODGNJLRRJNA-IAGPQMRQSA-NInChI: See more
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MC-Val-Cit-PAB-duocarmycin chlorideCAS号: 2055896-98-3分子式: C54H65Cl2N9O9 分子量: 1055.05SMILES: ClC[C@H]1C2=C(C=C(O)C3=CC=CC=C23)N(C(C4=CC5=CC(OCC[N+](C)(C)CC6=CC=C(NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC(CCCCCN7C(C=CC7=O)=O)=O)=O)=O)C=C6)=CC=C5N4)=O)C1.[Cl-]
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