Structure database (LMSD)

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LM IDLMFA04020006
Common Nameδ15-10-NeuroF
Systematic Name(4Z,7Z)-9-(5-((2E,6Z)-1,4-dihydroxynona-2,6-dien-1-yl)-3-
hydroxytetrahydrofuran-2-yl)nona-4,7-dienoic acid
Synonyms-
Exact Mass
394.2355 (neutral)    Calculate m/z:
FormulaC22H34O6
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassNeurofurans [FA0402]
PubChem CID44189178
InChIKeyXGQLDESRBZVSMX-HOGCIABESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H34O6/c1-2-3-8-11-17(23)14-15-18(24)21-16-19(25)20(28-21)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\CC1OC(C(O)/C=C/C(O)C/C=C\CC)CC1O)(=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