LMFA03010217
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
    8.0149    8.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0149    9.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0471    9.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4489    8.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0471    8.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8386   10.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7199    9.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8386    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7199    8.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6015    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4830    8.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3645    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2459    8.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1274    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0090    8.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7379    9.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6193   10.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5008    9.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3825   10.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2638    9.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1454   10.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2638    8.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.1761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6015    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1863    6.3606    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 25  1  6  0  0  0
  7 17  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  5 24  1  6  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010217

> <COMMON_NAME>
15S-hydroperoxy-PGE2

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

> <FORMULA>
C20H32O6

> <MASS>
368.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15S-Hp-PGE2

> <INCHI_KEY>
RGQICUMNQVAHES-ARSRFYASSA-N

> <INCHI>
InChI=1S/C20H32O6/c1-2-3-6-9-15(26-25)12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24/h4,7,12-13,15-17,19,22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185979

> <ABBREVIATION>
FA 20:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6444110

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroperoxy fatty acids [FA0104]; Hydroxy fatty acids [FA0105]; Oxo fatty acids [FA0106]; Carbocyclic fatty acids [FA0114]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -; -; -

> <TAXONOMY>
9606; 2608709

> <CITATION>
31529599; 31529599

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