Structure Database (LMSD)
Common Name
13-HOTE
Systematic Name
13-OH-9Z,11E,15Z-octadecatrienoic 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
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KLLGGGQNRTVBSU-JDTPQGGVSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\C(O)C/C=C\CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
335.77
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.92
Molar Refractivity
88.80
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Created at
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Updated at
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