LMFA08020298
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
   12.3505    8.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2529    8.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3505    9.7288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4413    8.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5317    8.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6221    8.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125    8.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8030    8.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8933    8.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3880    8.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7923    7.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8030    7.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125    6.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6221    7.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5317    6.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4413    7.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3508    6.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2605    7.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1700    6.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0796    7.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7039    9.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5396    6.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5317    6.1783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2727    8.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2923    8.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3120    8.9613    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9194    8.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6646    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2434    9.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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
  8  7  1  6  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  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  2  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
  8 12  1  0  0  0  0
  9 21  2  0  0  0  0
 11 22  1  6  0  0  0
 15 23  1  6  0  0  0
  2 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>
LMFA08020298

> <COMMON_NAME>
1-tauro-dinor-PGE1

> <SYSTEMATIC_NAME>
N-tauro-9,13-dihydroxy-7-oxo-dinorprosta-11-enoate

> <FORMULA>
C20H35NO7S

> <MASS>
433.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-tauro-dinor-Prostaglandin E1; Dinor PGE1 Taurine

> <INCHI_KEY>
SPRDGEGWYYYJQP-CMMYYJDPSA-N

> <INCHI>
InChI=1S/C20H35NO7S/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/h10-11,15-17,19,22,24H,2-9,12-14H2,1H3,(H,21,25)(H,26,27,28)/b11-10+/t15-,16+,17+,19+/m0/s1

> <SMILES>
C(CCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)CC1=O)(=O)NCCS(O)(=O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NAT 18:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101705080

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Eicosanoids [FA03]

> <ALT_SUB_CLASSES>
Prostaglandins [FA0301]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
9143337

$$$$