Structure database (LMSD)

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LM IDLMFA04020011
Common Nameδ8-10-NeuroF
Systematic Name(4Z,8E)-7-hydroxy-9-(3-hydroxy-5-((3Z,6Z)-1-hydroxynona-3,6-dien-1-yl)
tetrahydrofuran-2-yl)nona-4,8-dienoic acid
Synonyms-
Exact Mass
394.2355 (neutral)    Calculate m/z:
FormulaC22H34O6
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassNeurofurans [FA0402]
PubChem CID44188831
InChIKeyRLXRILUWBRCHLM-UGCWMZKCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H34O6/c1-2-3-4-5-6-9-12-18(24)21-16-19(25)20(28-21)15-14-17(23)11-8-
7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,
8-7-,9-6-,15-14+
SMILESC(CC/C=C\CC(O)/C=C/C1OC(C(O)C/C=C\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