Structure Database (LMSD)
Common Name
3-Hydroxy-11-methyl-stearic acid
Systematic Name
3-Hydroxy-11-methyloctadecanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-Hydroxy-11-methyl-stearic 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)
VRTKLGUFFVGGRS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O3/c1-3-4-5-7-10-13-17(2)14-11-8-6-9-12-15-18(20)16-19(21)22/h17-18,20H,3-16H2,1-2H3,(H,21,22)
SMILES (Click to copy)
C(CC(O)CCCCCCCC(C)CCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
360.99
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.84
Molar Refractivity
93.63
Admin
Created at
-
Updated at
14th May 2021