Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03060046
Common Name5,12-diHPETE
Systematic Name5,12-dihydroperoxy-6,8,10,14-eicosatetraenoic acid
Synonyms-
Exact Mass
368.2199 (neutral)    Calculate m/z:
FormulaC20H32O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDBANK IDDFA8087
PubChem CID5283179
InChIKeyFZVYTGLHRWEILG-LKCSHLNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O6/c1-2-3-4-5-6-9-13-18(25-23)14-10-7-8-11-15-19(26-24)16-12-17-2
0(21)22/h6-11,14-15,18-19,23-24H,2-5,12-13,16-17H2,1H3,(H,21,22)/b8-7+,9-6-,14-1
0+,15-11+
SMILESC(C(OO)/C=C/C=C/C=C/C(OO)CCCC(=O)O)/C=C\CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
394.10Topological Polar
Surface Area
96.22Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP6.07Molar
Refractivity
102.56