Structure database (LMSD)

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LM IDLMFA03060084
Common Name5-HETE (W)
Systematic Name5-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms-
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]
PubChem CID9862886
KEGG IDC04805
HMDB IDHMDB11134
CHEBI ID28209
SWISSLIPIDS IDSLM:000501196
CAYMAN ID34210
InChIKeyKGIJOOYOSFUGPC-XTDASVJISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h
6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16
-14+
SMILESC(O)(=O)CCCC(O)/C=C/C=C\C/C=C\C/C=C\CCCCC
MS SpectraView MoNA MS spectra     
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