Structure Database (LMSD)
Common Name
16-HETE
Systematic Name
(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms
- (5Z,8Z,11Z,14Z)-16-hydroxyeicosa-5,8,11,14-tetraenoic acid
- (all-cis)-16-hydroxy-5,8,11,14-eicosatetraenoic acid
- (all-cis)-16-hydroxy-5,8,11,14-icosatetraenoic acid
- 16-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
3D model of 16-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)
JEKNPVYFNMZRJG-UFINWASNSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-
SMILES (Click to copy)
C(CC(O)=O)C/C=C\C/C=C\C/C=C\C/C=C\C(O)CCCC
References
Other Databases
CHEBI ID
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
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Updated at
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