Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA04000013
Common Name7,8-epoxy-17S-HDHA
Systematic Name7,8-epoxy-17S-hydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid
Synonyms-
Exact Mass
358.2144 (neutral)    Calculate m/z:
FormulaC22H30O4
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Epoxy fatty acids[FA0107]
AbbrevFA 22:7;O2
PubChem CID16061140
CHEBI ID134608
InChIKeyBOFBVWROGCPAFH-VEYGSZKMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H30O4/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20-21(26-20)17-12-8-13-18-22(24)25/h3-12,15-16,19-21,23H,2,13-14,17-18H2,1H3,(H,24,25)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20?,21?/m0/s1
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SMILES
C(CC/C=C\CC1OC1/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume		393.48Topological Polar
Surface Area		70.06Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		4
 logP5.37Molar
Refractivity		107.44