Structure database (LMSD)

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LM IDLMFA03070017
Common Namemethyl 11-hydroperoxy-5,8,12,14,17-eicosapentaenoate
Systematic Namemethyl 11-hydroperoxy-5,8,12,14,17-eicosapentaenoate
Synonyms-
Exact Mass
348.2301 (neutral)    Calculate m/z:
FormulaC21H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDBANK IDDFA8100
PubChem CID5283200
InChIKeyFJAXIOQOBQWBDS-ZOZYKHBLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-11-14-17-20(25-23)18-15-12-10-13-16-19-21(22)
24-2/h4-5,7-12,18,23H,3,6,13-17,19H2,1-2H3/b5-4-,8-7-,11-9+,12-10-,20-18+
SMILESC(/OO)(\CC/C=C/C=C\C/C=C\CC)=C\C/C=C\CCCC(=O)OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
391.18Topological Polar
Surface Area
55.76Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP6.07Molar
Refractivity
102.85