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小分子和化合物库
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地昔帕明-2,4,6,8-d4盐酸盐CAS号: 61361-34-0分子式: C18H19D4ClN2 分子量: 306.87IUPAC Name: N-methyl-3-(1,3,8,10-tetradeuterio-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochlorideSMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: XAEWZDYWZHIUCT-TUJKZWLVSA-NInChI: 1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H/i2D,3D,9D,10D;
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Nε，Nε，Nε-三甲基赖氨酸 盐酸盐CAS号: 55528-53-5分子式: C9H20N2O2・HCl 分子量: 224.73IUPAC Name: [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;chlorideSMILES: C[N+](C)(C)CCCCC(C(=O)O)N.[Cl-]InChIKey: ZKIJKCHCMFGMCM-QRPNPIFTSA-NInChI: 1S/C9H20N2O2.ClH/c1-11(2,3)7-5-4-6-8(10)9(12)13;/h8H,4-7,10H2,1-3H3;1H/t8-;/m0./s1
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1,2-二油酰基-sn-丙三基-3-磷脂酰乙醇胺（DOPE）CAS号: 4004-05-1分子式: C41H78NO8P 分子量: 744.05IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: MWRBNPKJOOWZPW-NYVOMTAGSA-NInChI: See more
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1-油基-2-乙酰基-sn-甘油CAS号: 86390-77-4分子式: C23H42O5 分子量: 398.57IUPAC Name: [(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-octadec-9-enoateSMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(C)=OInChIKey: PWTCCMJTPHCGMS-YRBAHSOBSA-NInChI: 1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10-/t22-/m0/s1
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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丙酮二酸钠 一水合物分子式: C3H2Na2O6 分子量: 180.02IUPAC Name: disodium;2,2-dihydroxypropanedioateSMILES: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]InChIKey: HMBGDJCPFGQLIO-UHFFFAOYSA-LInChI: 1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
