Structure Database (LMSD)
Common Name
19S-HETE
Systematic Name
19S-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
3D model of 19S-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)
XFUXZHQUWPFWPR-DZBJBCEBSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-/t19-/m0/s1
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCC[C@@H](O)C)=C/C/C=C\CCCC(=O)O
References
Other Databases
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
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Created at
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Updated at
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