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CHEBI:133737 - acetyltaurine(1−)

ChEBI IDCHEBI:133737
ChEBI Nameacetyltaurine(1−)
Stars
ASCII Nameacetyltaurine(1-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonic acid group of acetyltaurine.
Last Modified8 August 2024
Submitterjjtluanloet
DownloadsMolfile
FormulaC4H8NO4S
Net Charge-1
Average Mass166.178
Monoisotopic Mass166.01795
SMILESCC(=O)NCCS(=O)(=O)[O-]
InChIInChI=1S/C4H9NO4S/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H,7,8,9)/p-1
InChIKeyCXJAAWRLVGAKDV-UHFFFAOYSA-M
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
acetyltaurine(1−) (CHEBI:133737) has role human blood serum metabolite (CHEBI:85234)
acetyltaurine(1−) (CHEBI:133737) has role human urinary metabolite (CHEBI:84087)
acetyltaurine(1−) (CHEBI:133737) is a alkanesulfonate oxoanion (CHEBI:134249)
acetyltaurine(1−) (CHEBI:133737) is conjugate base of acetyltaurine (CHEBI:84415)
Incoming Relation(s)
acetyltaurine (CHEBI:84415) is conjugate acid of acetyltaurine(1−) (CHEBI:133737)
IUPAC Name 
2-acetamidoethane-1-sulfonate
Synonyms  Source
N-acetyltaurinateChEBI
N-acetyltaurine(1−)ChEBI
acetyltaurinateChEBI
2-acetamidoethanesulfonateChEBI
2-(acetylamino)ethanesulfonateChEBI
UniProt Name  Source
N-acetyltaurineUniProt
Registry NumbersSources
Reaxys:3664502Reaxys