LMFA03010034
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.2668    7.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8576    6.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2732    5.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0981    5.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5073    6.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0918    7.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3432    8.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736    8.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0085    8.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9265    8.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6409    8.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4658    8.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1801    8.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8946    8.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6089    8.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3234    8.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0378    8.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    7.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    7.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    6.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3234    7.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6724    9.4888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  1  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  1  1  0  0  0  0
  7 10  1  6  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
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  4  0  0  0
 16 23  2  0  0  0  0
  3 24  2  0  0  0  0
  8 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010034

> <COMMON_NAME>
bicyclo-PGE2

> <SYSTEMATIC_NAME>
9,15-dioxo-5Z-prostaenoic acid-cyclo[11S,16]

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
bicyclo-Prostaglandin E2

> <INCHI_KEY>
CGCZPIJMGKLVTQ-PAJBVNRRSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-20(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4-/t14-,15-,16?,17+/m1/s1

> <SMILES>
[C@H]12CC(=O)[C@H](C/C=C\CCCC(=O)O)[C@H]1CCC(=O)C2([H])CCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0060054

> <CHEBI_ID>
89568

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
14530

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283043

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20671299

$$$$