Structure database (LMSD)

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LM IDLMFA03130002
Common Nameδ9-12-IsoF
Systematic Name(5Z,9Z)-8,11-dihydroxy-11-(4-hydroxy-5-pentyltetrahydrofuran-2-yl)undeca-5,9-
dienoic acid
Synonyms-
Exact Mass
370.2355 (neutral)    Calculate m/z:
FormulaC20H34O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassIsofurans [FA0313]
PubChem CID126457319
InChIKeyBFVKEJCJLZOPHW-NUJPFRRGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O6/c1-2-3-6-10-18-17(23)14-19(26-18)16(22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12-
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SMILES
C(CCC/C=C\CC(O)/C=C\C(C1CC(O)C(CCCCC)O1)O)(=O)O
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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