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CHEBI:132477 - N-hexadecanoyltaurine

ChEBI IDCHEBI:132477
ChEBI NameN-hexadecanoyltaurine
Stars
ASCII NameN-hexadecanoyltaurine
DefinitionA fatty acid-taurine conjugate derived from hexadecanoic acid.
Last Modified7 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC18H37NO4S
Net Charge0
Average Mass363.564
Monoisotopic Mass363.24433
SMILESCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C18H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24(21,22)23/h2-17H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyLPDJCYFKKSLKRO-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-hexadecanoyltaurine (CHEBI:132477) has functional parent hexadecanoic acid (CHEBI:15756)
N-hexadecanoyltaurine (CHEBI:132477) has role mouse metabolite (CHEBI:75771)
N-hexadecanoyltaurine (CHEBI:132477) is a fatty acid-taurine conjugate (CHEBI:132474)
N-hexadecanoyltaurine (CHEBI:132477) is conjugate acid of N-hexadecanoyltaurine(1−) (CHEBI:132045)
Incoming Relation(s)
N-hexadecanoyltaurine(1−) (CHEBI:132045) is conjugate base of N-hexadecanoyltaurine (CHEBI:132477)
IUPAC Name 
2-(hexadecanoylamino)ethane-1-sulfonic acid
Synonyms  Source
N-hexadecanoyl-taurineChEBI
N-palmitoyl-taurineChEBI
N-palmitoyltaurineChEBI
N-palmitoyl taurineLIPID MAPS
Manual XrefsDatabases
LMFA08020080LIPID MAPS
Registry NumbersSources
Reaxys:19210060Reaxys
Citations