Structure Database (LMSD)

Common Name
(+/-)-5-HEPE
Systematic Name
(+/-)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070027
Formula
Exact Mass
Calculate m/z
318.219495
Sum Composition
Status
Active



Main

Classification

String Representations

InChiKey (Click to copy)
FTAGQROYQYQRHF-FCWZHQICSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+
SMILES (Click to copy)
C(CCCC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

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

Other Databases

HMDB ID
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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Created at
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Updated at
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