5(S)-HETrE

Base Information

• Chemical Name: 5(S)-HETrE
• CAS No.: 195061-94-0
• Molecular Formula: C20H34O3
• Molecular Weight: 322.48
• DSSTox Substance ID: DTXSID401335878
• Wikidata: Q27160205
• Metabolomics Workbench ID: 2613
• Mol file: 195061-94-0.mol

Synonyms:5(S)-HETrE;5S-HETrE;195061-94-0;(5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid;5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid;SCHEMBL13841814;CHEBI:88359;DTXSID401335878;LMFA03050005;AKOS040756210;PD020966;(5S,6E,8Z,11Z)-5-hydroxyeicosatrienoic acid;(5S,6E,8Z,11Z)-5-hydroxyicosatrienoic acid;Q27160205

Chemical Property of 5(S)-HETrE

Chemical Property:

• PSA: 57.53000
• LogP: 5.41150
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 322.25079494
• Heavy Atom Count: 23
• Complexity: 356

Purity/Quality:

98% ^*data from raw suppliers

5(S)-HETrE ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCC=CC=CC(CCCC(=O)O)O
• Isomeric SMILES: CCCCCCCC/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O

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