LIPID MAPS

Structure Database (LMSD)

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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

Formula

C₂₀H₃₀O₄

Exact Mass

Calculate m/z

334.21441

Sum Composition

FA 20:5;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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

Other Databases

PubChem CID

171119148

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

Admin

Created at

19th May 2020

Updated at