小分子和化合物库
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L-丙氨酸-2-¹³C,¹⁵NCAS号: 285977-86-8分子式: CH313CH(15NH2)CO2H 分子量: 91.08IUPAC Name: (2R)-2-(15N)azanyl(213C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-GMWHYDPQSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1/i2+1,4+1
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L-甲硫氨酸-(甲基-¹³C,d₃)CAS号: 73488-65-0分子式: 13CD3SCH2CH2CH(NH2)CO2H 分子量: 153.22IUPAC Name: (2S)-2-amino-4-(trideuterio(113C)methylsulfanyl)butanoic acidSMILES: [2H][13C]([2H])([2H])SCC[C@H](N)C(O)=OInChIKey: FFEARJCKVFRZRR-ZIHWZSJBSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1D3
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甘氨酸-2-¹³C,¹⁵NCAS号: 91795-59-4分子式: H215N13CH2CO2H 分子量: 77.05IUPAC Name: 2-(15N)azanylacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-ZKDXJZICSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,3+1
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胍-¹³C,¹⁵N₃盐酸盐CAS号: 285977-73-3分子式: 13CH6Cl¹⁵N3 分子量: 99.5IUPAC Name: (13C)guanidine;hydrochlorideSMILES: C(=N)(N)N.ClInChIKey: PJJJBBJSCAKJQF-UJNKEPEOSA-NInChI: 1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H/i1+1,2+1,3+1,4+1;
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丹酚酸DCAS号: 142998-47-8 Compound CID : 75412558分子式: C20H18O10 分子量: 418.3IUPAC Name: (2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acidSMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)OInChIKey: KFCMFABBVSIHTB-WUTVXBCWSA-NInChI: 1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+/t16-/m1/s1
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