LMFA03110106
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    8.0028    7.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0028    8.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0443    9.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4516    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0443    7.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8184    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6914    9.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8184    7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6914    7.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4373    7.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3105    7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1835    7.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0563    7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9294    7.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6995    9.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5724    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4455    9.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3185    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1915    9.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0646    9.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1915    8.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6909    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  1  0  0  0
  6  7  1  0  0  0  0
  1  8  1  6  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 17  1  1  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  1  0  0  0
M  END
> <LM_ID>
LMFA03110106

> <COMMON_NAME>
ent-PGE2

> <SYSTEMATIC_NAME>
9-oxo-11S,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12S]

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XEYBRNLFEZDVAW-OBUVHCMGSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190308

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
10008294

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10247450

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
21317107

$$$$