Structure database (LMSD)

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LM IDLMFA03070004
Common Name9S-HEPE
Systematic Name9S-hydroxy-5Z,7E,11Z,14Z,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 IDDFA8121
PubChem CID5283187
CAYMAN ID32410
InChIKeyOXOPDAZWPWFJEW-FPRWAWDYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h
3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/b4-3-,7-6-,11-9-,
13-10-,17-14+/t19-/m0/s1
SMILES[C@H](O)(C/C=C\C/C=C\C/C=C\CC)/C=C/C=C\CCCC(=O)O
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