(3S)-3-amino-4-(trimethylazaniumyl)butanoate

• ChemBase编号: 159921
• 分子式: C7H16N2O2
• 平均质量: 160.21414
• 单一同位素质量: 160.12117776
• SMILES: [N+](C[C@H](CC(=O)[O-])N)(C)(C)C
• Canonical SMILES: N[C@H](C[N+](C)(C)C)CC(=O)[O-]
• InChI: InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m0/s1
• InChIKey: DAWBGYHPBBDHMQ-LURJTMIESA-N

名称和登记号

名称

• IUPAC标准名: (3S)-3-amino-4-(trimethylazaniumyl)butanoate
• IUPAC传统名: (3S)-3-amino-4-(trimethylammonio)butanoate
• 别名: (2S)-2-Amino-3-carboxy-N,N,N-trimethyl-1-propanaminium Inner Salt; (S)-3-Amino-4-(trimethylammonio)butyrate; (S)-Emeriamine; (S)-Amino Carnitine

登记号

• CAS号: 125377-87-9
• PubChem SID: 162254056
• PubChem CID: 10197827

理论计算性质

• Acid pKa: 3.8351104
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -6.813661
• LogD (pH = 7.4): -5.148007
• Log P: -6.4310865
• 摩尔折射率: 65.1428 cm^3
• 极化性: 17.03152 Å^3
• 极化表面积: 66.15 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A603405

An inhibitor of fatty acid oxidation. Aminocarnitine acts as a hypoglycemic and antiketogenic compound. It alters lipidic metabolism by inhibiting carnitine acetyltransferase (CAT) and carnitine palmitoyltransferase (CPT).

参考文献

• Jenkins, D.L., et al.: J. Biol. Chem., 260, 14748 (1985)
• Kanamaru, T., et al.: M. Life Sci., 37, 217 (1985)
• Hulsmann, W.C., et al.: J. Biochim. Biophys. Acta., 1097, 263 (1985)
• Chiodi, P., et al.: Biochim, Biophys. Acta., 1127, 81 (1985)