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CHEBI:132479 - N-stearoyltaurine

ChEBI IDCHEBI:132479
ChEBI NameN-stearoyltaurine
Stars
ASCII NameN-stearoyltaurine
DefinitionA fatty acid-taurine conjugate derived from stearic acid.
Last Modified7 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H41NO4S
Net Charge0
Average Mass391.618
Monoisotopic Mass391.27563
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)
InChIKeyLMIJIHJZVURGQK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (17116739)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-stearoyltaurine (CHEBI:132479) has functional parent octadecanoic acid (CHEBI:28842)
N-stearoyltaurine (CHEBI:132479) has role mouse metabolite (CHEBI:75771)
N-stearoyltaurine (CHEBI:132479) is a fatty acid-taurine conjugate (CHEBI:132474)
N-stearoyltaurine (CHEBI:132479) is conjugate acid of N-stearoyltaurine(1−) (CHEBI:132047)
Incoming Relation(s)
N-stearoyltaurine(1−) (CHEBI:132047) is conjugate base of N-stearoyltaurine (CHEBI:132479)
IUPAC Name 
2-(octadecanoylamino)ethane-1-sulfonic acid
Synonyms  Source
N-octadecanoyltaurineChEBI
N-stearoyl taurineLIPID MAPS
N-stearoyl-taurineChEBI
N-octadecanoyl-taurineChEBI
Manual XrefsDatabases
LMFA08020078LIPID MAPS
Registry NumbersSources
Reaxys:17116739Reaxys