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463-40-1 分子结构
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(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid

ChemBase编号:18
分子式:C18H30O2
平均质量:278.4296
单一同位素质量:278.2245802
SMILES和InChIs

SMILES:
OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Canonical SMILES:
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
InChIKey:
DTOSIQBPPRVQHS-PDBXOOCHSA-N

引用这个纪录

CBID:18 http://www.chembase.cn/molecule-18.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
IUPAC传统名
α-linolenic acid
α linolenic acid
别名
(9Z,12Z,15Z)-Octadecatrienoic acid
9,12,15-Octadecatrienoic acid
ALA
alpha-Linolenate
linolenate
Alpha-Linolenic Acid
(9Z,12Z,15Z)-9,12,15-Octadecatrienoic Acid
(Z,Z,Z)-Octadeca-9,12,15-trienoic Acid
(all-Z)-9,12,15-Octadecatrienoic Acid
9,12,15-all-cis-Octadecatrienoic Acid
all-cis-9,12,15-Octadecatrienoic Acid
cis-Δ9,12,15-Octadecatrienoic acid
α-Linolenic Acid
Linolenic Acid
CAS号
463-40-1
PubChem SID
46507620
160963481
PubChem CID
5280934

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
TRC
L467650 external link 加入购物车 请登录

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 4.9881673  质子受体
质子供体 LogD (pH = 5.5) 5.4320216 
LogD (pH = 7.4) 3.6783652  Log P 6.059955 
摩尔折射率 89.6354 cm3 极化性 33.692265 Å3
极化表面积 37.3 Å2 可自由旋转的化学键 13 
里宾斯基五规则 false 
Log P 6.62  LOG S -6.02 
溶解度 2.66e-04 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
0.000124 mg/mL at 25 oC [MEYLAN,WM et al. (1996)] expand 查看数据来源
Chloroform expand 查看数据来源
Methanol expand 查看数据来源
外观
Colorless Oil expand 查看数据来源
疏水性(logP)
5.8 expand 查看数据来源
保存条件
Refrigerator expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank TRC TRC
DrugBank -  DB00132 external link
Item Information
Drug Groups approved; nutraceutical
Description Alpha-linolenic acid (ALA) is a polyunsaturated omega-3 fatty acid. It is a component of many common vegetable oils and is important to human nutrition. [Wikipedia]
Indication For nutritional supplementation and for treating dietary shortage or imbalance.
Pharmacology Alpha Linolenic Acid (ALA) is an 18-carbon polyunsaturated fatty acid with three double bonds. It is also called an omega-3 fatty acid, and is essential for all mammals. Alpha-linolenic acid (or omega 3 fatty acid) intake can decrease the risk of cardiovascular diseases by 1) preventing arrhythmias that can lead to sudden cardiac death, 2) decreasing the risk of thrombosis (blood clot formation) that can lead to heart attack or stroke, 3) decreasing serum triglyceride levels, 4) slowing the growth of atherosclerotic plaque, 5) improving vascular endothelial function, 6) lowering blood pressure slightly, and 7) decreasing inflammation. ALA deficiencies can lead to visual problems and sensory neuropathy. Scaly and hemorrhagic skin or scalp inflammations may also develop.
Affected Organisms
Humans and other mammals
References
Kris-Etherton PM, Harris WS, Appel LJ: Fish consumption, fish oil, omega-3 fatty acids, and cardiovascular disease. Circulation. 2002 Nov 19;106(21):2747-57. [Pubmed]
Connor WE: Importance of n-3 fatty acids in health and disease. Am J Clin Nutr. 2000 Jan;71(1 Suppl):171S-5S. [Pubmed]
Brouwer IA, Katan MB, Zock PL: Dietary alpha-linolenic acid is associated with reduced risk of fatal coronary heart disease, but increased prostate cancer risk: a meta-analysis. J Nutr. 2004 Apr;134(4):919-22. [Pubmed]
Cho E, Hung S, Willett WC, Spiegelman D, Rimm EB, Seddon JM, Colditz GA, Hankinson SE: Prospective study of dietary fat and the risk of age-related macular degeneration. Am J Clin Nutr. 2001 Feb;73(2):209-18. [Pubmed]
Lauritzen I, Blondeau N, Heurteaux C, Widmann C, Romey G, Lazdunski M: Polyunsaturated fatty acids are potent neuroprotectors. EMBO J. 2000 Apr 17;19(8):1784-93. [Pubmed]
External Links
Wikipedia
Toronto Research Chemicals -  L467650 external link
An essential fatty acid. Occurs as the glyceride in most drying oils. Nutrient.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Kris-Etherton PM, Harris WS, Appel LJ: Fish consumption, fish oil, omega-3 fatty acids, and cardiovascular disease. Circulation. 2002 Nov 19;106(21):2747-57. Pubmed
  • Connor WE: Importance of n-3 fatty acids in health and disease. Am J Clin Nutr. 2000 Jan;71(1 Suppl):171S-5S. Pubmed
  • Brouwer IA, Katan MB, Zock PL: Dietary alpha-linolenic acid is associated with reduced risk of fatal coronary heart disease, but increased prostate cancer risk: a meta-analysis. J Nutr. 2004 Apr;134(4):919-22. Pubmed
  • Cho E, Hung S, Willett WC, Spiegelman D, Rimm EB, Seddon JM, Colditz GA, Hankinson SE: Prospective study of dietary fat and the risk of age-related macular degeneration. Am J Clin Nutr. 2001 Feb;73(2):209-18. Pubmed
  • Lauritzen I, Blondeau N, Heurteaux C, Widmann C, Romey G, Lazdunski M: Polyunsaturated fatty acids are potent neuroprotectors. EMBO J. 2000 Apr 17;19(8):1784-93. Pubmed
  • Folch, J., et al.: J. Biol. Chem., 226, 497 (1957)
  • Orban, E., et al.: J. Food Sci., 68, 128 (1957)
  • Tritt, K., et al.: J. Agric. Food Chem., 53, 5304 (1957)
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专利

专利

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