Structure Database (LMSD)

OH O OH
Common Name
15S-HEPE
Systematic Name
15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070009
Formula
C20H30O3
Exact Mass
Calculate m/z
318.219495
Sum Composition
FA 20:5;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View ion mobility data

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
WLKCSMCLEKGITB-DBVSHIMFSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1
SMILES (Click to copy)
C(/C/C=C\C=C\[C@@H](O)C/C=C\CC)=C/C/C=C\CCCC(=O)O

References

Other Databases

HMDB ID
HMDB0062296
CHEBI ID
88347
LIPIDBANK ID
DFA8126
PubChem CID
5283192
SwissLipids ID
SLM:000501479
Cayman ID
32710

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

Admin

Created at
-
Updated at
-