Taurine
  Ketcher 12232319402D 1   1.00000     0.00000     0

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.6235   -0.2730    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676   -0.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9971   -0.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8631   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8631    0.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6235    0.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306   -0.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894   -0.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4629   -0.6364    0.0000 C   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  2  0     0  0
  1  7  2  0     0  0
  1  8  2  0     0  0
  1  9  1  0     0  0
  5 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
M  END
> <LM_ID>
LMISFA0805A967

> <COMMON_NAME>
Taurine 8:0

> <SYSTEMATIC_NAME>
N-(octanoyl)-taurine

> <FORMULA>
C10H21NO4S

> <MASS>
251.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amino acids [FA0805]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active (generated by computational methods)

> <REFS>
-

$$$$