Structure database (LMSD)

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LM IDLMFA03060055
Common Name8-hydroxy-5E,9Z,11Z,14Z-eicosatetraenoic acid
Systematic Name8-hydroxy-5E,9Z,11Z,14Z-eicosatetraenoic acid
Synonyms5,9,11,14-Eicosatetraenoic acid, 8-hydroxy-, (E,Z,Z,Z)-; 8-HETE
Exact Mass
320.2351 (neutral)    Calculate m/z:
FormulaC20H32O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDAT ID4634
PubChem CID5312975
InChIKeyNLUNAYAEIJYXRB-XXSSMXECSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h
6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11+,16
-13-
SMILESC(CCC/C=C/CC(O)/C=C\C=C/C/C=C\CCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
367.73Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.47Molar
Refractivity
97.94