N-Stearoyl taurine

enlarge

Systematic / IUPAC Name: 2-(Stearoylamino)ethanesulfonic acid

ID: Reference4738

Other Names: N-Stearoyltaurine;
2-(Octadecanoylamino)ethanesulfonic acid;
2[(1-Oxooctadecyl)amino]-ethanesulfonic acid;
Ethanesulfonic acid, 2-[(1-oxooctadecyl)amino]-

Formula: C20H41NO4S

Class: Endogenous Metabolites

Spectral Data

N-Stearoyl taurine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 458
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/9/2016 8:47:43 AM
View Mass Spec Data > >

Identificators

InChI 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)
InChI Key LMIJIHJZVURGQK-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
CAS 63155806
Splash
Other Names N-Stearoyltaurine;
2-(Octadecanoylamino)ethanesulfonic acid;
2[(1-Oxooctadecyl)amino]-ethanesulfonic acid;
Ethanesulfonic acid, 2-[(1-oxooctadecyl)amino]-

In Other Databases

ChemSpider 147194
ChemIDPlus 025080095
PubChem 168274