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M  END
> <ID>
CHEBI:132480

> <NAME>
N-icosanoyltaurine

> <DEFINITION>
A fatty acid-taurine conjugate derived from icosanoic acid.

> <STAR>
3

> <SYNONYM>
N-icosanoyl-taurine; N-eicosanoyltaurine; N-eicosanoyl-taurine; N-arachidoyltaurine; N-arachidoyl-taurine

> <IUPAC_NAME>
2-(icosanoylamino)ethane-1-sulfonic acid

> <FORMULA>
C22H45NO4S

> <MASS>
419.664

> <MONOISOTOPIC_MASS>
419.30693

> <CHARGE>
0

> <SMILES>
C(C(NCCS(O)(=O)=O)=O)CCCCCCCCCCCCCCCCCC

> <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)

> <INCHIKEY>
VQNADUSXOPUIFY-UHFFFAOYSA-N

> <PUBMED_CITATION>
17116739

$$$$