Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03070012
Common Name12S-HpEPE
Systematic Name12S-hydroperoxy-5Z,8Z,10E,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 IDDFA8149
PubChem CID5283195
CHEBI ID90996
SWISSLIPIDS IDSLM:000501095
InChIKeyHDMYXONNVAOHFR-UOLHMMFFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
Click to highlight InChI
SMILES
C(/C/C=C\CCCC(=O)O)=C/C=C/[C@@H](OO)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