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129691-05-0

129691-05-0 | 5,8,11,14-Eicosatetraenoic acid, 2,3-dihydroxypropyl ester

CAS No: 129691-05-0 Catalog No: AG000TLU MDL No:

Product Description

Catalog Number:
AG000TLU
Chemical Name:
5,8,11,14-Eicosatetraenoic acid, 2,3-dihydroxypropyl ester
CAS Number:
129691-05-0
Molecular Formula:
C23H38O4
Molecular Weight:
378.5454
IUPAC Name:
2,3-dihydroxypropyl icosa-5,8,11,14-tetraenoate
InChI:
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3
InChI Key:
DCPCOKIYJYGMDN-UHFFFAOYSA-N
SMILES:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(CO)O

Properties

Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.277g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
378.553g/mol
Monoisotopic Mass:
378.277g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
4  
XLogP3:
5.5  

Literature

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Investigations of the human endocannabinoid system in two subcutaneous adipose tissue depots in lean subjects and in obese subjects before and after weight loss. International journal of obesity (2005) 20111101
Quantification of endocannabinoids in biological systems by chromatography and mass spectrometry: a comprehensive review from an analytical and biological perspective. Biochimica et biophysica acta 20111101
The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. The Journal of biological chemistry 20110610
Aiming drug discovery at lysophosphatidic acid targets. British journal of pharmacology 20100901
Glycerol monolaurate and dodecylglycerol effects on Staphylococcus aureus and toxic shock syndrome toxin-1 in vitro and in vivo. PloS one 20090101
Inhibition of [3H]batrachotoxinin A-20alpha-benzoate binding to sodium channels and sodium channel function by endocannabinoids. Neurochemistry international 20080201
Assessment of skin absorption and irritation potential of arachidonic acid and glyceryl arachidonate using in vitro diffusion cell techniques. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20071101
[Endocannabinoid system: from metabolic to neuroendocrine effects]. Annales d'endocrinologie 20070601
Final report of the amended safety assessment of Glyceryl Laurate, Glyceryl Laurate SE, Glyceryl Laurate/Oleate, Glyceryl Adipate, Glyceryl Alginate, Glyceryl Arachidate, Glyceryl Arachidonate, Glyceryl Behenate, Glyceryl Caprate, Glyceryl Caprylate, Glyceryl Caprylate/Caprate, Glyceryl Citrate/Lactate/Linoleate/Oleate, Glyceryl Cocoate, Glyceryl Collagenate, Glyceryl Erucate, Glyceryl Hydrogenated Rosinate, Glyceryl Hydrogenated Soyate, Glyceryl Hydroxystearate, Glyceryl Isopalmitate, Glyceryl Isostearate, International journal of toxicology 20040101
Oxygenated metabolites of anandamide and 2-arachidonoylglycerol: conformational analysis and interaction with cannabinoid receptors, membrane transporter, and fatty acid amide hydrolase. Journal of medicinal chemistry 20020815

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