Structure database (LMSD)

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LM IDLMFA03070009
Common Name15S-HEPE
Systematic Name15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
Synonyms-
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDDFA8126
PubChem CID5283192
HMDB IDHMDB0062296
SWISSLIPIDS IDSLM:000501479
CAYMAN ID26003
InChIKeyWLKCSMCLEKGITB-DBVSHIMFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h
3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-
3-,17-14+/t19-/m0/s1
SMILESC(/C/C=C\C=C\[C@@H](O)C/C=C\CC)=C/C/C=C\CCCC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
365.09Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.25Molar
Refractivity
97.85