Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03070001
Common Name5S-HpEPE
Systematic Name5S-hydroperoxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
Synonyms-
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 20:5;O2
LIPIDBANK IDDFA8148
PubChem CID5283184
CHEBI ID165271
InChIKeyNKXYOIJDQPQELO-GHWNLOBHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
Click to highlight InChI
SMILES
C(O)(=O)CCC[C@H](OO)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC
Click to highlight SMILES
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume		373.88Topological Polar
Surface Area		66.76Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		4
 logP5.92Molar
Refractivity		99.21