Structure Database (LMSD)

Common Name
10-F2-dihomo-IsoP
Systematic Name
1a,1b-dihomo-8,12,14-trihydroxy-5Z,9E-prostadienoic acid-cyclo[11,15]
Synonyms
LM ID
LMFA03110168
Formula
C23H40O5
Exact Mass
Calculate m/z
396.287575
Sum Composition
FA 23:3;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

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)
DTTMKDYOUCSFNN-NTZQAAQGSA-N
InChi (Click to copy)
InChI=1S/C23H40O5/c1-2-3-9-13-19-20(22(26)17-21(19)25)16-15-18(24)12-10-7-5-4-6-8-11-14-23(27)28/h7,10,15-16,18-22,24-26H,2-6,8-9,11-14,17H2,1H3,(H,27,28)/b10-7-,16-15+
SMILES (Click to copy)
C(CCC/C=C\CC(O)/C=C/C1C(O)CC(O)C1CCCCC)CCC(O)=O

Other Databases

CHEBI ID
168118
PubChem CID
56935881

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 430.13
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.07
Molar Refractivity 113.53

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Created at
-
Updated at
15th Apr 2021