Ketcher 07071609312D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
    9.4386   -6.7495    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   10.3053   -6.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1719   -6.7495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0384   -6.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9051   -6.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7718   -6.2397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3053   -5.2711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430   -6.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2725   -5.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2710   -5.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  2  7  2  0     0  0
  6  8  1  0     0  0
  6  9  2  0     0  0
  6 10  2  0     0  0
M  END
> <ID>
CHEBI:132474

> <NAME>
fatty acid-taurine conjugate

> <DEFINITION>
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of any fatty acid with the amino group of taurine.

> <STAR>
3

> <SYNONYM>
N-fatty acyl-taurine

> <FORMULA>
C3H6NO4SR

> <MASS>
152.150

> <MONOISOTOPIC_MASS>
152.00175

> <CHARGE>
0

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

> <PUBMED_CITATION>
17116739

$$$$