Structure Database (LMSD)
Common Name
5S-HETE
Systematic Name
5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
- 5-HETE
3D model of 5S-HETE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
KGIJOOYOSFUGPC-JGKLHWIESA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
SMILES (Click to copy)
C(O)(=O)CCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCC
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA8129
PubChem CID
SwissLipids ID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
367.73
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.47
Molar Refractivity
97.94
Admin
Created at
-
Updated at
3rd Feb 2022