8S-hydroxy-9E,11Z,14Z-eicosatrienoic acid

Base Information

• Chemical Name: 8S-hydroxy-9E,11Z,14Z-eicosatrienoic acid
• CAS No.: 889573-69-7
• Molecular Formula: C20H34O3
• Molecular Weight: 322.48
• DSSTox Substance ID: DTXSID401334844
• Wikidata: Q76293818
• Metabolomics Workbench ID: 2618
• Mol file: 889573-69-7.mol

Synonyms:8S-hydroxy-9E,11Z,14Z-eicosatrienoic acid;889573-69-7;8S-HETrE;(8S,9E,11Z,14Z)-8-hydroxyicosa-9,11,14-trienoic acid;8(S)-HETrE;LMFA03050011;SCHEMBL5928332;CHEBI:140473;DTXSID401334844;SR-01000946937;SR-01000946937-1

Chemical Property of 8S-hydroxy-9E,11Z,14Z-eicosatrienoic acid

Chemical Property:

• PSA: 57.53000
• LogP: 5.41150
• XLogP3: 5.7
• 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

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

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CC=CC(CCCCCCC(=O)O)O
• Isomeric SMILES: CCCCC/C=C\C/C=C\C=C\[C@H](CCCCCCC(=O)O)O
• Description: 8(S)-HETrE is a monohydroxy polyunsaturated fatty acid produced by rabbit neutrophil lipoxygenase when dihomo-γ-linolenic acid (DGLA; ) is used as a substrate. Although the biological activities of 8(S)-HETrE have not been well characterized, it is expected to behave similarly to 8(S)-HETE .

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