Structure Database (LMSD)

Common Name
14-F2-dihomo-IsoP
Systematic Name
1a,1b-dihomo-6,8,12-trihydroxy-10E,14Z-prostadienoic acid-cyclo[5,9]
Synonyms
LM ID
LMFA03110169
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

Classification

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

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

String Representations

InChiKey (Click to copy)
GAAQHTDEQARKTH-GNYNHFTISA-N
InChi (Click to copy)
InChI=1S/C22H38O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h6,8,14-15,17-21,23-25H,2-5,7,9-13,16H2,1H3,(H,26,27)/b8-6-,15-14+
SMILES (Click to copy)
C(CCCC1C(/C=C/C(O)C/C=C\CCCCC)C(O)CC1O)CC(O)=O

Other Databases

CHEBI ID
177973
PubChem CID
56935882

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

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Updated at
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