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CHEBI:132475 - N-dodecanoyltaurine

ChEBI IDCHEBI:132475
ChEBI NameN-dodecanoyltaurine
Stars
ASCII NameN-dodecanoyltaurine
DefinitionA fatty acid-taurine conjugate derived from dodecanoic acid.
Last Modified7 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H29NO4S
Net Charge0
Average Mass307.456
Monoisotopic Mass307.18173
SMILESCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19/h2-13H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyKCFRUUYAXCDZNZ-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-dodecanoyltaurine (CHEBI:132475) has functional parent dodecanoic acid (CHEBI:30805)
N-dodecanoyltaurine (CHEBI:132475) has role mouse metabolite (CHEBI:75771)
N-dodecanoyltaurine (CHEBI:132475) is a fatty acid-taurine conjugate (CHEBI:132474)
N-dodecanoyltaurine (CHEBI:132475) is conjugate acid of N-dodecanoyltaurine(1−) (CHEBI:132042)
Incoming Relation(s)
N-dodecanoyltaurine(1−) (CHEBI:132042) is conjugate base of N-dodecanoyltaurine (CHEBI:132475)
IUPAC Name 
2-(dodecanoylamino)ethane-1-sulfonic acid
Synonyms  Source
N-lauroyltaurineChEBI
2-((1-Oxododecyl)amino)ethanesulphonic acidChemIDplus
N-lauroyl-taurineChEBI
N-dodecanoyl-taurineChEBI
Registry NumbersSources
CAS:40738-12-3ChemIDplus
Citations