Structure Database (LMSD)

OH O HO HO OH
Common Name
7-F2-dihomo-IsoP
Systematic Name
1a,1b-dihomo-5,9,11-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8,12]
Synonyms
LM ID
LMFA03110170
Formula
C22H38O5
Exact Mass
Calculate m/z
382.271925
Sum Composition
FA 22:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Isoprostanes [FA0311]

String Representations

InChiKey (Click to copy)
QILWIJCKQCKOMR-LSEOUJGGSA-N
InChi (Click to copy)
InChI=1S/C22H38O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+
SMILES (Click to copy)
C(CCCC(O)/C=C/C1C(O)CC(O)C1C/C=C\CCCCC)CC(O)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
F2-dihomo-isoprostanes as potential early biomarkers of lipid oxidative damage in Rett syndrome.,
J Lipid Res, 2011
Pubmed ID: 21917727

Other Databases

PubChem CID
56935883

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 412.83
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.68
Molar Refractivity 108.91

Admin

Created at
-
Updated at
-