Structure Database (LMSD)

Common Name
(+/-)-18-HEPE
Systematic Name
(+/-)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070033
Formula
Exact Mass
Calculate m/z
318.219495
Sum Composition
Status
Active


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
Pubmed ID: 20671299

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

CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

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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