Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03070008
Common Name12S-HEPE
Systematic Name12S-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Synonyms-
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 20:5;O
LIPIDBANK IDDFA8125
PubChem CID5283191
HMDB IDHMDB10202
CHEBI ID88345
CAYMAN ID32550
InChIKeyMCRJLMXYVFDXLS-UOLHMMFFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
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SMILES
C(/C/C=C\CCCC(=O)O)=C/C=C/[C@@H](O)C/C=C\C/C=C\CC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume		365.09Topological Polar
Surface Area		57.53Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		3
 logP5.25Molar
Refractivity		97.85