LMFA03010019
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.2802    6.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2802    7.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4890    7.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4890    6.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533    7.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6737    7.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6737    6.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3942    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1147    6.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8352    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5556    6.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2761    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9966    6.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3942    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5056    7.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2261    7.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9466    7.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6671    7.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875    7.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1081    7.8893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875    6.8078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2319    5.5201    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  2  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
 10 16  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  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010019

> <COMMON_NAME>
PGJ2

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

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin J2; 8-epi-15-J2t-IsoP; 11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8S,12R]

> <INCHI_KEY>
UQOQENZZLBSFKO-POPPZSFYSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1

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

> <KEGG_ID>
C05957

> <HMDB_ID>
HMDB0002710

> <CHEBI_ID>
27485

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
18500

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280884

> <LIPIDBANK_ID>
XPR1901

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20671299

$$$$