LMFA03010014
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
    8.0025    7.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0025    8.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    9.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4517    8.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    7.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8177    9.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6906    9.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8177    7.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6906    7.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5633    7.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4359    7.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3088    7.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1815    7.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0541    7.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9270    7.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5633    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6984    9.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5710    9.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4437    9.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3166    9.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1893    9.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0619    9.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1893    8.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7997    7.3684    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
 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
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010014

> <COMMON_NAME>
20-hydroxy-PGE2

> <SYSTEMATIC_NAME>
9-oxo-11R,15S,20-trihydroxy-5Z,13E-prostadienoic acid

> <FORMULA>
C20H32O6

> <MASS>
368.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
20-hydroxy-Prostaglandin E2

> <INCHI_KEY>
AZIGEYVZEVXWAD-NZGURKHLSA-N

> <INCHI>
InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-17,19,21-22,24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0003247

> <CHEBI_ID>
137370

> <ABBREVIATION>
FA 20:4;O4

> <CAYMAN_ID>
14950

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283034

> <LIPIDBANK_ID>
XPR1714

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9940

> <CITATION>
3087990

$$$$