Structure Database (LMSD)
Common Name
N-stearoyl taurine
Systematic Name
N-octadecanoyl-taurine
Synonyms
LM ID
LMFA08020078
Formula
Exact Mass
Calculate m/z
391.275631
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of N-stearoyl taurine
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)
LMIJIHJZVURGQK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h2-19H2,1H3,(H,21,22)(H,23,24,25)
SMILES (Click to copy)
C(CNC(CCCCCCCCCCCCCCCCC)=O)S(O)(=O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
416.59
Topological Polar Surface Area
83.47
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
7.07
Molar Refractivity
109.86
Admin
Created at
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Updated at
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