Structure Database (LMSD)

Common Name
8,9-epoxy,7-HETE
Systematic Name
8,9-epoxy-7-hydroxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid
Synonyms
  • 7,8-HepETE
LM ID
LMFA03060116
Status
Active
Exact Mass
Calculate m/z
334.21441
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
NAQPPCOEARAIEB-BHZKQJBOSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-12-15-18-20(24-18)17(21)14-11-10-13-16-19(22)23/h3-4,6-7,9,11-12,14,17-18,20-21H,2,5,8,10,13,15-16H2,1H3,(H,22,23)/b4-3-,7-6-,12-9-,14-11-
SMILES (Click to copy)
C(CCC/C=C\C(O)C1OC1C/C=C\C/C=C\C/C=C\CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chaetoceros socialis (#163503)
Coscinodiscophyceae (#33836)
LOX-induced lipid peroxidation mechanism responsible for the detrimental effect of marine diatoms on zooplankton grazers.,
Chembiochem, 2007
Pubmed ID: 17886321

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 364.16
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.03
Molar Refractivity 98.39

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Created at
19th May 2020
Updated at
19th May 2020