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CHEBI:146196 - N-docosanoyltaurine(1−)

ChEBI IDCHEBI:146196
ChEBI NameN-docosanoyltaurine(1−)
Stars
ASCII NameN-docosanoyltaurine(1-)
DefinitionA fatty acid-taurine conjugate(1−) obtained by deprotonation of the sulfo group of N-docosanoyltaurine; major species at pH 7.3.
Last Modified6 July 2020
Submitterlaimo
DownloadsMolfile
FormulaC24H48NO4S
Net Charge-1
Average Mass446.718
Monoisotopic Mass446.33095
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-]
InChIInChI=1S/C24H49NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23-30(27,28)29/h2-23H2,1H3,(H,25,26)(H,27,28,29)/p-1
InChIKeySAIMYQVCHHQQMU-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
N-docosanoyltaurine(1−) (CHEBI:146196) has functional parent behenate (CHEBI:23858)
N-docosanoyltaurine(1−) (CHEBI:146196) is a fatty acid-taurine conjugate(1−) (CHEBI:132040)
N-docosanoyltaurine(1−) (CHEBI:146196) is conjugate base of N-docosanoyltaurine (CHEBI:156045)
Incoming Relation(s)
N-docosanoyltaurine (CHEBI:156045) is conjugate acid of N-docosanoyltaurine(1−) (CHEBI:146196)
IUPAC Name 
2-(docosanoylamino)ethanesulfonate
Synonyms  Source
C22:0 NAT(1−)SUBMITTER
2-(docosanoylamino)ethane-1-sulfonateIUPAC
2-[(1-oxodocosyl)amino]-ethanesulfonateChEBI
2-docosanamidoethane-1-sulfonateChEBI
N-docosanoyl-taurine(1−)ChEBI
UniProt Name  Source
N-docosanoyl-taurineUniProt
Citations