LMFA03100001
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   11.6453    7.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    6.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    7.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7263    7.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1755    6.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8997    6.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8997    7.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1755    7.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6264    6.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3532    6.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0799    6.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8067    6.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5335    6.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2604    6.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7383    7.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650    7.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1918    7.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9186    7.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6264    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7263    8.6003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6453    6.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3379    7.7437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7244    6.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3588    5.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  1  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  6  0  0  0
  6  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
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  1  1  0  0  0  0
  9 19  1  6  0  0  0
  4 20  1  0  0  0  0
  4 21  2  0  0  0  0
  1 22  2  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03100001

> <COMMON_NAME>
LGE2

> <SYSTEMATIC_NAME>
(8R,12R)-10,11-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Levuglandins [FA0310]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Levuglandin E2

> <INCHI_KEY>
WJWAORNTZNRHBP-QNUMDXCLSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1

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

> <KEGG_ID>
C13807

> <HMDB_ID>
HMDB02363

> <CHEBI_ID>
34821

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5771742

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
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]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$