首页
400-620-6333
小分子和化合物库
选项
-
β-谷甾醇乙酸酯(含菜油甾醇乙酸酯)CAS号: 915-05-9分子式: C31H52O2 分子量: 456.76IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)CInChIKey: PBWOIPCULUXTNY-LBKBYZTLSA-NInChI: 1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
-
-
D-甘露糖-1-¹³CCAS号: 70849-31-9分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3S,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-YILIOCFTSA-NInChI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1/i6+1
-
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
-
L-亮氨酸-¹³C₆CAS号: 201740-84-3分子式: (13CH3)213CH13CH213CH(NH2)13CO2H 分子量: 137.13IUPAC Name: (2S)-2-amino-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-IQUPZBQQSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
-
L-天冬酰胺-¹³C₄一水合物CAS号: 286460-82-0分子式: H2N13CO13CH213CH(NH2)13CO2H·H2O 分子量: 154.1SMILES: [H]O[H].N[13C@@H]([13CH2][13C](N)=O)[13C](O)=OInChIKey: RBMGJIZCEWRQES-KFYBRNFPSA-NInChI: 1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1/i1+1,2+1,3+1,4+1;
-
L-脯氨酸-¹³C₅CAS号: 201740-83-2分子式: C5H9NO2 分子量: 120.09IUPAC Name: (2S)-(2,3,4,5-13C4)azolidine-2-carboxylic acidSMILES: C1CC(NC1)C(=O)OInChIKey: ONIBWKKTOPOVIA-JRGPAWSWSA-NInChI: 1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
-
L-谷氨酰胺-¹³C₅CAS号: 184161-19-1 EC号: 200-292-1分子式: 13C5H10N2O3 分子量: 151.11IUPAC Name: (2S)-2,5-diamino-5-oxopentanoic acidSMILES: [H][13C@](N)([13CH2][13CH2][13C](N)=O)[13C](O)=OInChIKey: ZDXPYRJPNDTMRX-VKHMYHEASA-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
-
L-谷氨酸-¹³C₅CAS号: 55443-55-5分子式: ¹³C5H9NO4 分子量: 152.09IUPAC Name: (2S)-2-aminopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-NInChI: 1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
-
L-酪氨酸-(苯基-¹³C₆)CAS号: 201595-63-3分子式: 4-(HO)13C6H4CH2CH(NH2)CO2H 分子量: 187.14IUPAC Name: (2S)-2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-HXCZJXEJSA-NInChI: 1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,6+1,7+1
-
L-酪氨酸-¹³C₉CAS号: 55443-60-2分子式: 4-(HO)13C6H413CH213CH(NH2)13CO2H 分子量: 190.12IUPAC Name: (2S)-2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OInChIKey: OUYCCCASQSFEME-ZNZHEFIISA-NInChI: 1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
-
丙酮酸（1-¹³C）CAS号: 99124-30-8分子式: CH3CO13CO2H 分子量: 89.05IUPAC Name: 2-oxo(113C)propanoic acidSMILES: CC(=O)[13C](O)=OInChIKey: LCTONWCANYUPML-LBPDFUHNSA-NInChI: 1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/i3+1
