(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

• ChemBase编号: 134421
• 分子式: C20H32O3
• 平均质量: 320.46628
• 单一同位素质量: 320.23514488
• SMILES: C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)CCO
• Canonical SMILES: OCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
• InChI: InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
• InChIKey: NNDIXBJHNLFJJP-DTLRTWKJSA-N

名称和登记号

名称

• IUPAC标准名: (5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid
• IUPAC传统名: 20-hete
• 别名: 20-Hydroxyarachidonic acid; 20-HETE; 20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid

登记号

• CAS号: 79551-86-3
• MDL号: MFCD00171542
• PubChem SID: 162228697; 24895546
• PubChem CID: 5283157

理论计算性质

• Acid pKa: 4.819772
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 4.3885164
• LogD (pH = 7.4): 2.615384
• Log P: 5.150492
• 摩尔折射率: 101.8827 cm^3
• 极化性: 37.740055 Å^3
• 极化表面积: 57.53 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

安全信息

• 联合国危险货物编号: 1170
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1170 3/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: ≥90% (HPLC)
• 浓度: ~100 μg/mL in ethanol
• 运输包装: dry ice

详细说明

Sigma Aldrich - H3023

Biochem/physiol Actions
Arachidonic acid metabolite via cytochrome P4504A that is an activator of the Ras/MAP pathway. It is involved in the regulation of sodium, potassium, and chloride transport in the renal tubules.
包装
Packaged under argon.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. H3023.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.