LMFA08020300
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
    8.5384    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5384    3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6080    4.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0330    3.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6080    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3300    4.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1771    3.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3300    2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1771    2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0244    2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8716    2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7190    2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5662    2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4136    2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2608    2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3057    5.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0244    1.2603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1555    3.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027    4.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3057    1.5808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500    3.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500    2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6973    4.3669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7242    3.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7513    4.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7781    3.7736    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.3012    4.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3037    2.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5679    3.2398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  6  0  0  0
  6  7  1  0  0  0  0
  1  8  1  1  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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
  3 16  2  0  0  0  0
 10 17  1  6  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
 21 19  1  0  0  0  0
 23 21  1  0  0  0  0
  5 20  1  6  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 26 28  2  0     0  0
 26 29  1  0     0  0
M  END
> <LM_ID>
LMFA08020300

> <COMMON_NAME>
1-tauro-dinor-PGE2

> <SYSTEMATIC_NAME>
N-tauro-9,13-dihydroxy-7-oxo-dinorprosta-3Z,11E-dienoate

> <FORMULA>
C20H33NO7S

> <MASS>
431.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-tauro-dinor-Prostaglandin E2; Dinor PGE2 Taurine

> <INCHI_KEY>
LDYNTZRUZUEPPO-ZITVMCCMSA-N

> <INCHI>
InChI=1S/C20H33NO7S/c1-2-3-4-7-15(22)10-11-17-16(18(23)14-19(17)24)8-5-6-9-20(25)21-12-13-29(26,27)28/h5-6,10-11,15-17,19,22,24H,2-4,7-9,12-14H2,1H3,(H,21,25)(H,26,27,28)/b6-5-,11-10+/t15-,16+,17+,19+/m0/s1

> <SMILES>
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\CC(=O)NCCS(O)(=O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NAT 18:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101705081

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Eicosanoids [FA03]

> <ALT_SUB_CLASSES>
Prostaglandins [FA0301]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
9143337

$$$$