LMFA03100017
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   11.2829    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9984    7.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2829    8.4382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5623    7.1990    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
    9.1203    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
    6.2835    7.1266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4922    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
    5.4922    6.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835    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    6.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1203    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5623    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2832    6.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0041    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    8.1778    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  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  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
  7 23  1  6  0  0  0
 11 24  2  0  0  0  0
 13 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03100017

> <COMMON_NAME>
5-epi-5-iso-LGE2

> <SYSTEMATIC_NAME>
(8S,12R)-10,11-seco-9,11-dioxo-5R-hydroxy-6E,14Z-prostadienoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Levuglandins [FA0310]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(5R,6E,8S,9R,11Z)-8-acetyl-9-formyl-5-hydroxyheptadeca-6,11-dienoic acid

> <INCHI_KEY>
NAVKVZDJPSOUFI-KFODYRDWSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-3-4-5-6-7-8-10-17(15-21)19(16(2)22)14-13-18(23)11-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921917

> <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

$$$$