Structure Database (LMSD)

Common Name
8R-HpETE
Systematic Name
8R-hydroperoxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
  • 8(R)-HPETE
  • (5Z,9E,11Z,14Z)-(8R)-8-Hydroxyperoxyeicosa-5,9,11,14-tetraenoate
  • (5Z,8R,9E,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-tetraenoic acid
LM ID
LMFA03060037
Status
Active
Exact Mass
Calculate m/z
336.23006
Formula
C20H32O4
Abbrev
FA 20:4;O2
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
QQUFCXFFOZDXLA-GTYUHVKWSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1
SMILES (Click to copy)
C(/C=C/[C@H](OO)C/C=C\CCCC(=O)O)=C/C/C=C\CCCCC

References

Other Databases

KEGG ID
C04822
HMDB ID
HMDB04699
CHEBI ID
15629
LIPIDBANK ID
XPR6014
PubChem CID
5283170
SwissLipids ID
SLM:000000967

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 376.52
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.14
Molar Refractivity 99.30

Admin

Created at
-
Updated at
-