Structure database (LMSD)

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LM IDLMFA03060037
Common Name8R-HpETE
Systematic Name8R-hydroperoxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
Synonyms8(R)-HPETE; (5Z,9E,11Z,14Z)-(8R)-8-Hydroxyperoxyeicosa-5,9,11,14-tetraenoate;
(5Z,8R,9E,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-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]
LIPIDBANK IDXPR6014
PubChem CID5283170
KEGG IDC04822
HMDB IDHMDB04699
CHEBI ID15629
SWISSLIPIDS IDSLM:000000967
InChIKeyQQUFCXFFOZDXLA-GTYUHVKWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)2
2/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-
,16-13+/t19-/m0/s1
SMILESC(/C=C/[C@H](OO)C/C=C\CCCC(=O)O)=C/C/C=C\CCCCC
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