LMFA03100013
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   13.4458    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1613    7.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4458    8.4382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7252    7.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0041    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2832    7.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5622    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202    7.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3993    7.6120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6783    7.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9574    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2834    7.1266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4921    7.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    6.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2834    6.3006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9574    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6783    6.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3993    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202    6.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3993    8.4382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    8.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  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  2  0  0  0  0
 13 12  1  1  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  6  0  0  0
 14 24  2  0  0  0  0
 16 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03100013

> <COMMON_NAME>
8-epi-8-iso-LGE2

> <SYSTEMATIC_NAME>
(11S,15R)-13,14-seco-12,14-dioxo-8R-hydroxy-5Z,9E-prostadienoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Levuglandins [FA0310]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(5Z,8R,9E,11S,12R)-11-acetyl-12-formyl-8-hydroxyheptadeca-5,9-dienoic acid

> <INCHI_KEY>
KESUZKAIGAYGSL-WILRFSIMSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-3-4-7-10-17(15-21)19(16(2)22)14-13-18(23)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(CCC/C=C\C[C@@H](O)/C=C/[C@H](C(=O)C)[C@@H](CCCCC)C=O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921913

> <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>
9606

> <CITATION>
11150730

$$$$