Structure Database (LMSD)

Common Name
8S-HEPE
Systematic Name
8S-hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070003
Status
Active
Exact Mass
Calculate m/z
318.219495
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WLOUCHKFBGGNEB-CHGUASJCSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
SMILES (Click to copy)
C(/C=C/[C@@H](O)C/C=C\CCCC(=O)O)=C/C/C=C\C/C=C\CC

References

Other Databases

LIPIDBANK ID
DFA8120
PubChem CID
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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