LMFA08020256
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0     0  0            999 V2000
    6.9524   -0.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7978   -0.0507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9451   -0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9760   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9681   -0.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9681    0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1280   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874   -0.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4469   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066   -0.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6381   -0.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9573    0.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4839    0.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8112   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5294   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5214   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3806   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2397   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0988   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9579   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8171   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6762   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5353   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3944   -0.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  4  3  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  2 12  2  0     0  0
  2 13  2  0     0  0
  2 14  1  0     0  0
 11 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
M  END
> <LM_ID>
LMFA08020256

> <COMMON_NAME>
N-gondoyl taurine

> <SYSTEMATIC_NAME>
N-(11Z-eicosenoyl) taurine

> <FORMULA>
C22H43NO4S

> <MASS>
417.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VLXOSMVXAQBEEG-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C22H43NO4S/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/h9-10H,2-8,11-21H2,1H3,(H,23,24)(H,25,26,27)/b10-9-

> <SMILES>
C(CNC(CCCCCCCCC/C=C\CCCCCCCC)=O)S(O)(=O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NAT 20:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120689

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$