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小分子和化合物库
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DL-丙氨酸-¹⁵NCAS号: 71261-64-8分子式: CH3CH(15NH2)CO2H 分子量: 90.09IUPAC Name: 2-(15N)azanylpropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-AZXPZELESA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i4+1
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L-谷氨酰胺-(胺-¹⁵N)CAS号: 80143-57-3分子式: H2NCO(CH2)2CH(15NH2)CO2H 分子量: 147.14IUPAC Name: (2S)-5-amino-2-(15N)azanyl-5-oxopentanoic acidSMILES: C(CC(=O)N)C(C(=O)O)NInChIKey: ZDXPYRJPNDTMRX-OGWWSMAPSA-NInChI: 1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i6+1
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β-烟酰胺腺嘌呤二核苷酸 水合物分子式: 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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吡啶-¹⁵NCAS号: 34322-45-7分子式: C5H5(15N) 分子量: 80.09IUPAC Name: (115N)pyridineSMILES: C1=CC=NC=C1InChIKey: JUJWROOIHBZHMG-PTQBSOBMSA-NInChI: 1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i6+1
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苯甲酰胺-¹⁵NCAS号: 31656-62-9分子式: C7H7¹⁵NO 分子量: 122.13IUPAC Name: (15N)benzamideSMILES: C1=CC=C(C=C1)C(=O)NInChIKey: KXDAEFPNCMNJSK-VJJZLTLGSA-NInChI: 1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)/i8+1
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6-O-棕榈酰-L-抗坏血酸分子式: C22H38O7 分子量: 414.53IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoateSMILES: CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)OInChIKey: QAQJMLQRFWZOBN-LAUBAEHRSA-NInChI: 1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
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