15(S)-Hpede

Base Information

• Chemical Name: 15(S)-Hpede
• CAS No.: 145375-41-3
• Molecular Formula: C₂₀H₃₆O₄
• Molecular Weight: 340.503
• DSSTox Substance ID: DTXSID50425007
• Wikidata: Q76286249
• Metabolomics Workbench ID: 1255
• ChEMBL ID: CHEMBL1485769
• Mol file: 145375-41-3.mol

Synonyms:15(S)-HPEDE;15S-HpEDE;15S-hydroperoxy-11Z,13E-eicosadienoic acid;145375-41-3;(11Z,13E,15S)-15-hydroperoxyicosa-11,13-dienoic acid;BML1-C07;CHEMBL1485769;SCHEMBL16675718;DTXSID50425007;CHEBI:144843;KEXNVBSLXJLOPR-XMSPSUPSSA-N;LMFA01040030;AKOS040755801;NCGC00161252-01;PD020934;(15S)-hydroperoxy-(11Z,13E)-eicosadienoic acid;(15S)-hydroperoxy-(11Z,13E)-icosadienoic acid;SR-01000946959;J-008095;SR-01000946959-1;(11Z,13E,15S)-15-hydroperoxyeicosa-11,13-dienoic acid

Chemical Property of 15(S)-Hpede

Chemical Property:

• PSA: 66.76000
• LogP: 6.13280
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 340.26135963
• Heavy Atom Count: 24
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

15(S)-HpEDE ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=CC=CCCCCCCCCCC(=O)O)OO
• Isomeric SMILES: CCCCC[C@@H](/C=C/C=C\CCCCCCCCCC(=O)O)OO

Technology Process of 15(S)-Hpede

There total 2 articles about 15(S)-Hpede 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:

(Z,Z)-11,14-eicosadienoic acid (2091-39-6,16275-55-1,80883-69-8,80883-70-1,5598-38-9) → 15-(S)-HPEDA (145375-41-3)

Guidance literature:

With ammonium sulfate; soybean lipoxygenase;

DOI:10.1021/jm00385a005

Reference yield:

(Z,Z)-11,14-eicosadienoic acid (2091-39-6,16275-55-1,80883-69-8,80883-70-1,5598-38-9) → (11Z,13E)-15-hydroperoxy-11,13-eicosadienoic acid (145375-41-3)

Guidance literature:

With soybean lipoxygenase;

DOI:10.1271/bbb.67.2280

Reference yield:

15-(S)-HPEDA (145375-41-3) → 15-(S)-HEDA (92693-04-4)

Guidance literature:

With sodium tetrahydroborate; Yield given;

DOI:10.1021/jm00385a005

upstream raw materials:

(Z,Z)-11,14-eicosadienoic acid

Downstream raw materials:

15-(S)-HEDA

Refernces

• 1、 Haviv,Ratajczyk,DeNet,Martin,Dyer,Carter. "Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues". . p. 254 - 263. Retrieved 2007/10/02.