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CHEBI:132480 - N-icosanoyltaurine

ChEBI IDCHEBI:132480
ChEBI NameN-icosanoyltaurine
Stars
ASCII NameN-icosanoyltaurine
DefinitionA fatty acid-taurine conjugate derived from icosanoic acid.
Last Modified7 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H45NO4S
Net Charge0
Average Mass419.672
Monoisotopic Mass419.30693
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)
InChIKeyVQNADUSXOPUIFY-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-icosanoyltaurine (CHEBI:132480) has functional parent icosanoic acid (CHEBI:28822)
N-icosanoyltaurine (CHEBI:132480) has role mouse metabolite (CHEBI:75771)
N-icosanoyltaurine (CHEBI:132480) is a fatty acid-taurine conjugate (CHEBI:132474)
N-icosanoyltaurine (CHEBI:132480) is conjugate acid of N-icosanoyltaurine(1−) (CHEBI:132048)
Incoming Relation(s)
N-icosanoyltaurine(1−) (CHEBI:132048) is conjugate base of N-icosanoyltaurine (CHEBI:132480)
IUPAC Name 
2-(icosanoylamino)ethane-1-sulfonic acid
Synonyms  Source
N-eicosanoyl-taurineChEBI
N-arachidoyl-taurineChEBI
N-eicosanoyltaurineChEBI
N-arachidoyltaurineChEBI
N-icosanoyl-taurineChEBI
Citations