Structure Database (LMSD)
Common Name
N-linoleoyl taurine
Systematic Name
N-(9Z,12Z-octadecadienoyl)-taurine
Synonyms
LM ID
LMFA08020138
Formula
Exact Mass
Calculate m/z
387.244331
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of N-linoleoyl taurine
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)
YIWODQVLEDDQSF-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C20H37NO4S/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/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)(H,23,24,25)/b7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\CCCCC)(=O)NCCS(O)(=O)=O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
411.31
Topological Polar Surface Area
83.47
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.62
Molar Refractivity
109.67
Admin
Created at
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Updated at
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