9-[(1-Oxohexadecyl)oxy]octadecanoic acid
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基本情報
- CAS
1481636-31-0- 標準SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)O- InChIKey
MHQWHZLXDBVXML-UHFFFAOYSA-N- 分子式
- C34H66O4
- 平均分子量
- 538.898 g/mol
- 単同位体質量
- 538.49611059
名称と識別子
- 優先名称
- 9-[(1-Oxohexadecyl)oxy]octadecanoic acid
- IUPAC
- 9-(Hexadecanoyloxy)octadecanoic acid
- 英語名
- 9-PAHSA
- 分子式
- C34H66O4
- 分子量
- 538.89
名称と別名
9-PAHSAMHQWHZLXDBVXML-UHFFFAOYSA-N9-[(1-oxohexadecyl)oxy]-octadecanoicacidOctadecanoic acid, 9-[(1-oxohexadecyl)oxy]-
データベース識別子
- CAS
1481636-31-0- PubChem CID
- 72189985
- DTXSID
DTXSID101274990- ChEMBL
CHEMBL4744584- ChEBI
CHEBI:84425- Nikkaji
- J278.973F
物性
物理化学的性質
- 沸点
- 619.2 · 619.2±38.0 °C(Predicted)
- 比重(密度)
- 0.916 · 0.916±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 15 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
- 酸解離定数(Pka)
- 4.78 · 4.78±0.10(Predicted)
- 外見
- Solid
- 色
- White to off-white
- InChI
- 1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)
- InChIKey
- MHQWHZLXDBVXML-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCC(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCC(O)=O
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Chronic 3Carc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1STOT SE 3
化学と産業
応用分野
説明Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are newly identified endogenous lipids regulated by fasting and high-fat feeding and associated with insulin sensitivity. Structurally, these esters are comprised of a C-16 or C-18 fatty acid (e.g., palmitoleic, palmitic, oleic, or stearic acid) linked to a hydroxylated C-16 or C-18 lipid. 9-PAHSA is a FAHFA in which palmitic acid is esterified to 9-hydroxy stearic acid. PAHSAs are the most abundant forms of FAHFA in serum as well as white and brown adipose tissues of glucose tolerant AG4OX mice, which overexpress Glut4 specifically in adipose tissue. 9-PAHSA is the predominant isomer of PAHSA in wild type and AG4OX mice. It is found in humans and is reduced in the serum and adipose tissues of insulin-resistant humans. 9-PAHSA improves glucose tolerance, stimulates insulin secretion, and has anti-inflammatory effects in mice.
使用Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are newly identified endogenous lipids regulated by fasting and high-fat feeding and associated with insulin sensitivity. Structurally, these esters are comprised of a C-16 or C-18 fatty acid (e.g., palmitoleic, palmitic, oleic, or stearic acid) linked to a hydroxylated C-16 or C-18 lipid. 9-PAHSA is a FAHFA in which palmitic acid is esterified to 9-hydroxy stearic acid. PAHSAs are the most abundant forms of FAHFA in serum as well as white and brown adipose tissues of glucose tolerant AG4OX mice, which overexpress Glut4 specifically in adipose tissue. 9-PAHSA is the predominant isomer of PAHSA in wild type and AG4OX mice. It is found in humans and is reduced in the serum and adipose tissues of insulin-resistant humans. 9-PAHSA improves glucose tolerance, stimulates insulin secretion, and has anti-inflammatory effects in mice.[Cayman Chemical]
一般的な説明9-(Palmitoyloxy)octadecanoic acid (9-PAHSA) is a palmitic acid ester of 9-hydroxystearic acid.
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