17-HDoHE

Base Information

• Chemical Name: 17-HDoHE
• CAS No.: 90780-52-2
• Molecular Formula: C₂₂H₃₂O₃
• Molecular Weight: 344.494
• DSSTox Substance ID: DTXSID80904335
• Nikkaji Number: J2.839.902B
• Wikidata: Q27140036
• Metabolomics Workbench ID: 3047
• Mol file: 90780-52-2.mol

Synonyms:17(R)HDoHE;17(S)-HDHA;17-HDHE;17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid;17-hydroxy-DHA;17-hydroxydocosahexaenoic acid

Chemical Property of 17-HDoHE

Chemical Property:

• Vapor Pressure: 2.57E-12mmHg at 25°C
• Boiling Point: 505.1°Cat760mmHg
• PKA: 4.58±0.10(Predicted)
• Flash Point: 273.4°C
• PSA: 57.53000
• Density: 0.995g/cm³
• LogP: 5.51970
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 344.23514488
• Heavy Atom Count: 25
• Complexity: 493

Purity/Quality:

99% ^*data from raw suppliers

(+/-)17-HDoHE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC=CCC(C=CC=CCC=CCC=CCC=CCCC(=O)O)O
• Isomeric SMILES: CC/C=C\CC(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O

Technology Process of 17-HDoHE

There total 6 articles about 17-HDoHE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

docosahexaenoic acid (6217-54-5) → (±)-(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid (90780-52-2) + (14S)-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid (119433-37-3,87042-40-8)

Guidance literature:

pH=7.45; Murine macrophages;

Reference yield:

docosahexaenoic acid (6217-54-5) → (±)-(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid (90780-52-2) + 7,17-dihydroxy DHA (887752-07-0,578008-43-2) + 10,17-dihydroxy DHA (887752-08-1)

Guidance literature:

docosahexaenoic acid; With water; 15-lipoxygenase; at 4 ℃; for 0.5h; pH=9.0; Enzymatic reaction; Aqueous sodium borate buffer;

With sodium tetrahydroborate; In water;

Reference yield:

docosahexaenoic acid (6217-54-5) → (±)-(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid (90780-52-2) + 14-hydroxy DHA (100838-25-3,87042-40-8) + (±)-11-hydroxy-4Z,7Z,9E,13Z,16Z,19Z-docosahexaenoic acid (87018-59-5) + 8,14-dihydroxy DHA (887752-50-3) + 7,14-dihydroxy DHA

Guidance literature:

docosahexaenoic acid; With Tween-20; ethylenediaminetetraacetic acid; water; tris hydrochloride; 12-lipoxygenase; at 4 ℃; for 0.5h; pH=7.5;

With sodium tetrahydroborate; In water;

upstream raw materials:

docosahexaenoic acid

(17S)-HDHA

17-oxo-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid

Refernces

• 1、 -. "14-HYDROXY-DOCOSAHEXAENOIC ACID COMPOUNDS". Page/Page column 58. . Retrieved 2010/04/25.