LMFA03010155
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
    8.0023    7.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    8.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0439    9.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4516    8.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0439    7.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8178    9.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6905    9.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8178    7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6905    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5634    7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4361    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3091    7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1818    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0548    7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9276    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5634    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6984    9.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5713    9.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4441    9.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3170    9.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1897    9.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625    9.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0794    8.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0794    8.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8861    9.4396    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  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
  3 16  2  0  0  0  0
 10 17  1  6  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
  5 24  1  6  0  0  0
 25 23  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010155

> <COMMON_NAME>
1a,1b-dihomo-PGE2

> <SYSTEMATIC_NAME>
1a,1b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid

> <FORMULA>
C22H36O5

> <MASS>
380.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1a,1b-dihomo-Prostaglandin E2

> <INCHI_KEY>
PNKJEXAWAIJTRO-QKIVIXBWSA-N

> <INCHI>
InChI=1S/C22H36O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-19,21,23,25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185711

> <ABBREVIATION>
FA 22:4;O3

> <CAYMAN_ID>
18665

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061091

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9940

> <CITATION>
17135246

$$$$