5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoic acid

Base Information

• Chemical Name: 5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoic acid
• CAS No.: 213382-49-1
• Molecular Formula: C20H34 O4
• Molecular Weight: 338.48
• DSSTox Substance ID: DTXSID50943892
• Wikidata: Q27104913
• Metabolomics Workbench ID: 2612
• Mol file: 213382-49-1.mol

Synonyms:213382-49-1;5,6-DHET;5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoic acid;(+/-)5,6-DiHETrE;(8Z,11Z,14Z)-5,6-Dihydroxyicosa-8,11,14-trienoic acid;(+/-)5,6-DHET;(8Z,11Z,14Z)-5,6-Dihydroxyeicosa-8,11,14-trienoic acid;8,11,14-Eicosatrienoicacid, 5,6-dihydroxy-, (8Z,11Z,14Z)-;5,6-DiHETrE;(+/-)5,6-Dihydroxy-8Z,11Z,14Z-eicosatrienoic acid;5,6-DIHYDROXYICOSA-8,11,14-TRIENOIC ACID;SCHEMBL2509173;CHEBI:63974;DTXSID50943892;GFNYAPAJUNPMGH-QNEBEIHSSA-N;LMFA03050004;5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoate;5,6-dihydroxy-8Z,11Z,14Z-icosatrienoic acid;(+/-)5(6)-DiHET Lipid Maps(R) MS Standard;SR-01000946966;J-014002;SR-01000946966-1;Q27104913;(8Z,11Z,14Z)-5,6-Dihydroxyicosa-8,11,14-trienoate;5,6-dihydroxy-8(Z),11(Z),14(Z)-eicosatrienoic acid;(.+/-.)-5,6-Dihydroxy-8Z,11Z,14Z-eicosatrienoic acid;(8Z,11Z,14Z)-5,6-Dihydroxyeicosa-8,11,14-trienoate

Chemical Property of 5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoic acid

Chemical Property:

• Vapor Pressure: 9.1E-13mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 515.2°Cat760mmHg
• Flash Point: 279.4°C
• PSA: 77.76000
• Density: 1.025g/cm³
• LogP: 4.38230
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 338.24570956
• Heavy Atom Count: 24
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

(±)?-5,?6-DHET ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCC=CCC(C(CCCC(=O)O)O)O
• Isomeric SMILES: CCCCC/C=C\C/C=C\C/C=C\CC(C(CCCC(=O)O)O)O
• Uses: (±)?-5,?6-?Dihydroxy-?8Z,?11Z,?14Z-?eicosatrienoic Acid ((±)?5,?6-DHET) is associated with abnormal lipoprotein oxylipins and metabolic disorders and may contribute to chronic inflammation.