Structure Database (LMSD)
Common Name
alpha-kamlolenic acid
Systematic Name
18-hydroxy-9Z,11E,13E-octadecatrienoic acid
Synonyms
- 18-hydroxy-cis-9,trans-11,trans-13-octadecatrienoic acid
- alpha-Camlolenic acid
3D model of alpha-kamlolenic acid
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)
YPHQMIRXEFDOQM-ALXQIFAGSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)/b2-1-,5-3+,9-7+
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\C=C\C=C\CCCCO
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
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
Admin
Created at
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Updated at
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