Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03060086
Common Name8-HETE
Systematic Name8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
Synonyms-
Exact Mass
320.2351 (neutral)    Calculate m/z:
FormulaC20H32O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID11976122
KEGG IDC14776
HMDB IDHMDB0062433
CHEBI ID72643
SWISSLIPIDS IDSLM:000501198
CAYMAN ID34340
InChIKeyNLUNAYAEIJYXRB-HEJOTXCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+
Click to highlight InChI
SMILES
C(=C/CCCC(=O)O)/CC(O)/C=C/C=C\C/C=C\CCCCC
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume		367.73Topological Polar
Surface Area		57.53Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		3
 logP5.47Molar
Refractivity		97.94