Structure Database (LMSD)

Common Name
N-stearoyl taurine
Systematic Name
N-octadecanoyl-taurine
Synonyms
LM ID
LMFA08020078
Formula
C20H41NO4S
Exact Mass
Calculate m/z
391.275631
Sum Composition
NAT 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

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

CHEBI ID
132479
PubChem CID
168274
Cayman ID
10005610

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

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Created at
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Updated at
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