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CHEBI:132047 - N-stearoyltaurine(1−)

ChEBI IDCHEBI:132047
ChEBI NameN-stearoyltaurine(1−)
Stars
ASCII NameN-stearoyltaurine(1-)
DefinitionA fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-stearoyltaurine; major species at pH 7.3.
Last Modified7 July 2016
Submitterlaimo
DownloadsMolfile
FormulaC20H40NO4S
Net Charge-1
Average Mass390.610
Monoisotopic Mass390.26835
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-]
InChIInChI=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)/p-1
InChIKeyLMIJIHJZVURGQK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
N-stearoyltaurine(1−) (CHEBI:132047) is a fatty acid-taurine conjugate(1−) (CHEBI:132040)
N-stearoyltaurine(1−) (CHEBI:132047) is conjugate base of N-stearoyltaurine (CHEBI:132479)
Incoming Relation(s)
N-stearoyltaurine (CHEBI:132479) is conjugate acid of N-stearoyltaurine(1−) (CHEBI:132047)
IUPAC Name 
2-(octadecanoylamino)ethane-1-sulfonate
Synonyms  Source
N-octadecanoyl-taurine(1−)SUBMITTER
N-stearoyltaurine(1−)ChEBI
N-octadecanoyltaurine(1−)ChEBI
UniProt Name  Source
N-octadecanoyl-taurineUniProt
Citations