Structure Database (LMSD)
Common Name
13-HOTE
Systematic Name
13-hydroxy-6Z,9Z,11E,15Z-octadecatetraenoic acid
Synonyms
3D model of 13-HOTE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
NGBYXHBSPUAWMR-YEKWYGGZSA-N
InChi (Click to copy)
InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3-4,6-7,9,11-12,15,17,19H,2,5,8,10,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,11-3-,15-12+
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\C=C\C(O)C/C=C\CC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
333.13
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.69
Molar Refractivity
88.71
Admin
Created at
9th Jan 2025
Updated at
9th Jan 2025