N-Arachidonoyl taurine

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Systematic / IUPAC Name: 2-{[(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoyl]amino}ethanesulfonic acid

ID: Reference6619

Other Names: N-(5Z,8Z,11Z,14Z)-Eicosatetraenoyltaurine;
N-(5Z,8Z,11Z,14Z)-Icosatetraenoyltaurine;
N-Arachidonoyltaurine;
2-{[(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoyl]amino}ethane-1-sulfonic acid

Formula: C22H37NO4S

Spectral Data

N-Arachidonoyl 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 Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 5866
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/19/2017 10:58:20 AM
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Identificators

InChI InChI=1S/C22H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-28(25,26)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)(H,25,26,27)/b7-6-,10-9-,13-12-,16-15-
InChI Key YUNYSWCRLRYOPO-DOFZRALJSA-N
Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCS(=O)(=O)O
CAS 119959658
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Other Names N-(5Z,8Z,11Z,14Z)-Eicosatetraenoyltaurine;
N-(5Z,8Z,11Z,14Z)-Icosatetraenoyltaurine;
N-Arachidonoyltaurine;
2-{[(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoyl]amino}ethane-1-sulfonic acid

In Other Databases

PubChem 42607331
ChemSpider 24842023
ChEBI CHEBI:132506