Structure Database (LMSD)
Common Name
(+/-)-18-HEPE
Systematic Name
(+/-)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
Synonyms
3D model of (+/-)-18-HEPE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
String Representations
InChiKey (Click to copy)
LRWYBGFSVUBWMO-UXNZXXPISA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
365.09
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.25
Molar Refractivity
97.85
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Updated at
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