CHEBI:132048 - N-icosanoyltaurine(1−)

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ChEBI Name N-icosanoyltaurine(1−) ChEBI ID CHEBI:132048 ChEBI ASCII Name N-icosanoyltaurine(1-) Definition A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-icosanoyltaurine; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H44NO4S Net Charge -1 Average Mass 418.656 Monoisotopic Mass 418.29965 InChI InChI=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)/p-1 InChIKey VQNADUSXOPUIFY-UHFFFAOYSA-M SMILES C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCCCCCCCC ChEBI Ontology Outgoing N-icosanoyltaurine(1−) (CHEBI:132048) is a fatty acid-taurine conjugate(1−) (CHEBI:132040) N-icosanoyltaurine(1−) (CHEBI:132048) is conjugate base of N-icosanoyltaurine (CHEBI:132480) Incoming N-icosanoyltaurine (CHEBI:132480) is conjugate acid of N-icosanoyltaurine(1−) (CHEBI:132048) IUPAC Name 2-(icosanoylamino)ethane-1-sulfonate Synonyms Sources N-arachidoyl-taurine(1−) ChEBI N-arachidoyltaurine(1−) ChEBI N-eicosanoyl-taurine UniProt N-eicosanoyltaurine(1−) ChEBI N-icosanoyl-taurine(1−) SUBMITTER Citation Type Source 17116739 PubMed citation SUBMITTER Last Modified 07 July 2016