Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03070043
Common Name18R-HpEPE
Systematic Name18R-hydroperoxy-5Z,8Z,11Z,14Z,16E-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]
PubChem CID53477461
InChIKeyZNUBMQUXCKZUTC-UAAZXLHOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O4/c1-2-19(24-23)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)2
2/h4-7,10-13,15,17,19,23H,2-3,8-9,14,16,18H2,1H3,(H,21,22)/b6-4-,7-5-,12-10-,13-
11-,17-15+/t19-/m1/s1
SMILESC(CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](OO)CC)(=O)O
StatusActive
ReferencesResolvins and Protectins in Inflammation Resolution
Charles N. Serhan and Nicos A. Petasi
Chem. Rev. 2011, 111, 5922-594
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