(2-{[(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium

• ChemBase编号: 132966
• 分子式: C26H52NO7P
• 平均质量: 521.667341
• 单一同位素质量: 521.34813964
• SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
• Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
• InChI: InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
• InChIKey: YAMUFBLWGFFICM-PTGWMXDISA-N

名称和登记号

名称

• IUPAC标准名: (2-{[(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
• IUPAC传统名: (2-{[(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
• 别名: (7R,18Z)-4,7-Dihydroxy-N,N,N-trimethyl-10-oxo-,3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium Inner Salt 4-Oxide; 1-O-Oleoyl-sn-glycero-3-phosphocholine; 1-Oleoyl-sn-glycero-3-phosphocholine; 1-Oleoyl-sn-glycero-3-phosphocholine; (7R,18Z)-4,7-Dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, inner salt; 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine; 1-cis-9-Octadecenoyl-sn-glycero-3-phosphocholine; 1-Oleoyl-2-hydroxy-sn-glycerol-3-phosphocholine; 1-Oleoyl-sn-glycero-3-phosphorylcholine; 3-sn-Lysophosphatidylcholine, 1-oleoyl; L-γ-Oleoyl-α-lysolecithin; Lysolecithin, oleoyl; PC(18:1(9Z)/0:0); PC(18:1/0:0); 1-Oleoyl-sn-glycero-3-phosphocholine

登记号

• CAS号: 19420-56-5
• MDL号: MFCD00133435
• Beilstein号: 4033747
• PubChem SID: 24896294; 162227243
• PubChem CID: 16081932

理论计算性质

• Acid pKa: 1.8553406
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.7434618
• LogD (pH = 7.4): 3.743558
• Log P: 1.7199582
• 摩尔折射率: 152.5923 cm^3
• 极化性: 56.246002 Å^3
• 极化表面积: 105.12 Å^2
• 可自由旋转的化学键: 25
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ~99%
• 生物来源: synthetic

详细说明

Toronto Research Chemicals - O528040

1-Oleoyl-sn-glycero-3-phosphocholine is a marker contained in biological sample for determination of obesity and screening method.

参考文献

• Hanke, C., et al.: Eur. J. Biochem., 232, 806 (1995)
• Bao, X., et al.: Plant Physiol., 118, 183 (1995)
• Benghezal, M., et al.: J. Biol. Chem., 282, 30845 (1995)
• Cao, J., et al.: J. Biol. Chem., 283, 19049 (1995)