Structure database (LMSD)

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LM IDLMFA03060108
Common Name5-HPETE
Systematic Name5-hydroperoxyeicosa-6E,8Z,11Z,14Z-tetraenoic acid
Synonyms(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID5283171
KEGG IDC05356
HMDB IDHMDB0011135
SWISSLIPIDS IDSLM:000501146
CAYMAN ID44230
InChIKeyJNUUNUQHXIOFDA-XTDASVJISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)2
2/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
,16-14+
SMILESC(/C/C=C\C/C=C\CCCCC)=C/C=C/C(OO)CCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
376.52Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.14Molar
Refractivity
99.30