Structure database (LMSD)

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LM IDLMFA04020014
Common Nameδ15-11-NeuroF
Systematic Name(4Z,7Z)-10-hydroxy-10-(4-hydroxy-5-((1E,5Z)-3-hydroxyocta-1,5-dien-1-yl)
tetrahydrofuran-2-yl)deca-4,7-dienoic acid
Synonyms-
Exact Mass
394.2355 (neutral)    Calculate m/z:
FormulaC22H34O6
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassNeurofurans [FA0402]
PubChem CID44188667
InChIKeyAGFIBXIWRJTBJA-HOGCIABESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H34O6/c1-2-3-8-11-17(23)14-15-20-19(25)16-21(28-20)18(24)12-9-6-4-5-
7-10-13-22(26)27/h3,5-9,14-15,17-21,23-25H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-
3-,9-6-,15-14+
SMILESC(CC/C=C\C/C=C\CC(O)C1OC(/C=C/C(O)C/C=C\CC)C(O)C1)(=O)O
StatusActive (generated by computational methods)
Calculated physicochemical properties (?):
 Heavy Atoms28Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
416.34Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP4.33Molar
Refractivity
111.43