Structure Database (LMSD)
Common Name
Auricolic acid
Systematic Name
14-hydroxy-11Z,17Z-eicosadienoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Auricolic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GWEIHUNYMRRZJJ-MOAWTDCJSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h3-4,11,14,19,21H,2,5-10,12-13,15-18H2,1H3,(H,22,23)/b4-3-,14-11-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\CC(O)CC/C=C\CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
373.01
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.92
Molar Refractivity
98.13
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Created at
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Updated at
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