Structure database (LMSD)

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LM IDLMFA03060052
Common Name5,12-DiHETE
Systematic Name5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid
Synonyms6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-; 5,12-Di-HETE
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], Hydroxy fatty acids[FA0105]
LIPIDAT ID2927
PubChem CID5312972
HMDB IDHMDB0062409
InChIKeyVNYSSYRCGWBHLG-XUOUMLBJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)2
4/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6+,14-10+,15-
11+
SMILESC(CCCC(O)/C=C/C=C/C=C/C(O)C/C=C/CCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
376.52Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.73Molar
Refractivity
99.84