Structure database (LMSD)

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LM IDLMFA03130007
Common Nameδ10-6-IsoF
Systematic Name5-hydroxy-5-(4-hydroxy-5-((1E,5Z)-3-hydroxyundeca-1,5-dien-1-yl)
tetrahydrofuran-2-yl)pentanoic acid
Synonyms-
Exact Mass
370.2355 (neutral)    Calculate m/z:
FormulaC20H34O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassIsofurans [FA0313]
AbbrevFA 20:3;O4
PubChem CID126457324
InChIKeyBACPHWAVJGJMGH-NQFDUOLLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O6/c1-2-3-4-5-6-7-9-15(21)12-13-18-17(23)14-19(26-18)16(22)10-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+
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SMILES
C1C(C(O)CCCC(=O)O)OC(/C=C/C(O)C/C=C\CCCCC)C1O
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StatusActive (generated by computational methods)
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
387.02Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP4.00Molar
Refractivity
102.38