LMFA03010031
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
    6.6022    6.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6022    7.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8113    7.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3225    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8113    6.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9953    7.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9953    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8763    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3169    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8270    7.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5472    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2675    7.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9878    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7080    7.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4283    7.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7080    6.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5200    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  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  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  2  0  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03010031

> <COMMON_NAME>
13,14-dihydro-15-keto-PGE2

> <SYSTEMATIC_NAME>
9,15-dioxo-11R-hydroxy-5Z-prostenoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13,14-dihydro-15-keto-Prostaglandin E2

> <INCHI_KEY>
CUJMXIQZWPZMNQ-XYYGWQPLSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1

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

> <KEGG_ID>
C04671

> <HMDB_ID>
HMDB0002776

> <CHEBI_ID>
15550

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
14650

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280711

> <LIPIDBANK_ID>
XPR1712

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20671299

$$$$