Structure Database (LMSD)
Common Name
9S-HEPE
Systematic Name
9S-hydroxy-5Z,7E,11Z,14Z,17Z-eicosapentaenoic acid
Synonyms
3D model of 9S-HEPE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
9(S)-HEPE is a metabolite of eicosapentaenoic acid (EPA).1 It is formed from EPA by 9-lipooxygenase (9-LO).
This information has been provided by Cayman Chemical
References
String Representations
InChiKey (Click to copy)
OXOPDAZWPWFJEW-FPRWAWDYSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/b4-3-,7-6-,11-9-,13-10-,17-14+/t19-/m0/s1
SMILES (Click to copy)
[C@H](O)(C/C=C\C/C=C\C/C=C\CC)/C=C/C=C\CCCC(=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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