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
Main
Classification
Category
Main Class
Sub Class
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Oryctolagus cuniculus
(#9986)
Mammalia
(#40674)
Transformation of arachidonic acid and homo-gamma-linolenic acid by rabbit polymorphonuclear leukocytes. Monohydroxy acids from novel lipoxygenases.,
J Biol Chem, 1976
J Biol Chem, 1976
Pubmed ID:
826538
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