Structure Database (LMSD)
Common Name
15-hydroxy-9Z,12Z-Octadecadienoic acid
Systematic Name
15-hydroxy-9Z,12Z-Octadecadienoic acid
Synonyms
- 9,12-Octadecadienoic acid, 15-hydroxy-, (9Z,12Z)-
- 9,12-Octadecadienoic acid, 15-hydroxy-, (Z,Z)-
- cis-15-Hydroxy-9,12-octadecadienoic acid
3D model of 15-hydroxy-9Z,12Z-Octadecadienoic 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)
MZQXAWAWDWCIKG-OHPMOLHNSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\CC(O)CCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
338.41
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.14
Molar Refractivity
88.9
Admin
Created at
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Updated at
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