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CHEBI:132048 - N-icosanoyltaurine(1−)

ChEBI IDCHEBI:132048
ChEBI NameN-icosanoyltaurine(1−)
Stars
ASCII NameN-icosanoyltaurine(1-)
DefinitionA fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-icosanoyltaurine; major species at pH 7.3.
Last Modified7 July 2016
Submitterlaimo
DownloadsMolfile
FormulaC22H44NO4S
Net Charge-1
Average Mass418.664
Monoisotopic Mass418.29965
SMILESCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-]
InChIInChI=1S/C22H45NO4S/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/h2-21H2,1H3,(H,23,24)(H,25,26,27)/p-1
InChIKeyVQNADUSXOPUIFY-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
N-icosanoyltaurine(1−) (CHEBI:132048) is a fatty acid-taurine conjugate(1−) (CHEBI:132040)
N-icosanoyltaurine(1−) (CHEBI:132048) is conjugate base of N-icosanoyltaurine (CHEBI:132480)
Incoming Relation(s)
N-icosanoyltaurine (CHEBI:132480) is conjugate acid of N-icosanoyltaurine(1−) (CHEBI:132048)
IUPAC Name 
2-(icosanoylamino)ethane-1-sulfonate
Synonyms  Source
N-icosanoyl-taurine(1−)SUBMITTER
N-arachidoyltaurine(1−)ChEBI
N-arachidoyl-taurine(1−)ChEBI
N-eicosanoyltaurine(1−)ChEBI
UniProt Name  Source
N-eicosanoyl-taurineUniProt
Citations