Structure Database (LMSD)
Common Name
ent-8-epi-15-F2c-IsoP
Systematic Name
9R,11S,15R-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12R]
Synonyms
- (9R,11S,15R)-15-F2-IsoP[8R,12R]
LM ID
LMFA03110111
Formula
Exact Mass
Calculate m/z
354.240625
Sum Composition
Status
Active (generated by computational methods)
3D model of ent-8-epi-15-F2c-IsoP
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
Free Radical Lipid Peroxidation: Mechanisms and Analysis
Huiyong Yin, Libin Xu and Ned A. Porter
Chem. Rev. 2011, 111, 5944-5972
Huiyong Yin, Libin Xu and Ned A. Porter
Chem. Rev. 2011, 111, 5944-5972
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Free radical lipid peroxidation: mechanisms and analysis.,
Chem Rev, 2011
Chem Rev, 2011
Pubmed ID:
21861450
DOI:
10.1021/cr200084z
String Representations
InChiKey (Click to copy)
PXGPLTODNUVGFL-LFQRMHLBSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(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+/t15-,16-,17-,18-,19+/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@@H](O)C[C@H]1O)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
378.23
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.90
Molar Refractivity
99.68
Admin
Created at
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Updated at
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