Terminology Service for NFDI4Health
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N-icosanoyltaurine(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_132048

A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-icosanoyltaurine; major species at pH 7.3.

Term info

Label

N-icosanoyltaurine(1-)

Synonyms
  • 2-(icosanoylamino)ethane-1-sulfonate
database cross reference
Subsets

3_STAR

IUPAC NAME
2-(icosanoylamino)ethane-1-sulfonate [ IUPAC ]

charge

-1

formula

C22H44NO4S

has obo namespace

chebi_ontology

has related synonym

N-arachidoyltaurine(1-), N-eicosanoyltaurine(1-), N-icosanoyl-taurine(1-), N-arachidoyl-taurine(1-), N-eicosanoyl-taurine

id

CHEBI:132048

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

mass

418.656

monoisotopicmass

418.29965

smiles

C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCCCCCCCC