Structure Database (LMSD)

Common Name
delta10-5-IsoF
Systematic Name
4-(5-((2Z,6Z)-1,4-dihydroxydodeca-2,6-dien-1-yl)-3-hydroxytetrahydrofuran-2-yl)butanoic acid
Synonyms
LM ID
LMFA03130003
Formula
C20H34O6
Exact Mass
Calculate m/z
370.23554
Sum Composition
FA 20:3;O4
Status
Active (generated by computational methods)
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Isofurans [FA0313]

String Representations

InChiKey (Click to copy)
DCDVQFUNHMSNRJ-ASZCUJMBSA-N
InChi (Click to copy)
InChI=1S/C20H34O6/c1-2-3-4-5-6-7-9-15(21)12-13-16(22)19-14-17(23)18(26-19)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-
SMILES (Click to copy)
C(CCCC1C(O)CC(C(O)/C=C\C(O)C/C=C\CCCCC)O1)(=O)O

Other Databases

PubChem CID
126457320

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 387.02
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.00
Molar Refractivity 102.38

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Created at
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Updated at
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