Structure Database (LMSD)
Common Name
9-keto-11Z-octadecenoic acid
Systematic Name
9-oxo-11Z-octadecenoic acid
Synonyms
- 11-Octadecenoic acid, 9-oxo-, (Z)-
No other lipid differing only in stereochemistry/bond geometry found
3D model of 9-keto-11Z-octadecenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
XLGYOGUDSFUNBU-FLIBITNWSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
SMILES (Click to copy)
C(CCCCCCCC(=O)C/C=C\CCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
338.41
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.29
Molar Refractivity
87.48
Admin
Created at
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Updated at
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