LMFA08020081
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0  0  0  0  0999 V2000
   18.2252    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4339    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4339    6.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7216    5.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0092    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2968    5.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5844    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8723    5.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1599    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4475    5.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7352    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8186    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1063    5.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6816    5.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9692    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2569    5.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5445    5.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8321    5.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8297    5.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4933    5.9187    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0389    5.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4933    6.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8808    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0576    6.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020081

> <COMMON_NAME>
N-oleoyl taurine

> <SYSTEMATIC_NAME>
N-(9Z-octadecenoyl)-taurine

> <FORMULA>
C20H39NO4S

> <MASS>
389.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KOGRJTUIKPMZEJ-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25)/b10-9-

> <SMILES>
N(CCS(O)(=O)=O)C(CCCCCCC/C=C\CCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
146206

> <ABBREVIATION>
-

> <CAYMAN_ID>
10005609

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6437033

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$