Structure database (LMSD)

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LM IDLMFA03070014
Common Namemethyl 6-hydroperoxy-4,8,11,14,17-eicosapentaenoate
Systematic Namemethyl 6-hydroperoxy-4,8,11,14,17-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 IDDFA8097
PubChem CID5283197
InChIKeyFLFGTTDEJGTDGY-BTMOMFKHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20(25-23)18-15-16-19-21(22)
24-2/h4-5,7-8,10-11,13-15,18,20,23H,3,6,9,12,16-17,19H2,1-2H3/b5-4-,8-7-,11-10-,
14-13-,18-15-
SMILESC(/C/C=C\C/C=C\C/C=C\CC)=C/CC(OO)/C=C\CCC(=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
 logP6.01Molar
Refractivity
103.59