LMFA03010120
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
    8.0022    7.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    8.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    8.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    7.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8172    9.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6897    9.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8172    7.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6897    7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5622    7.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4347    7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3072    7.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1798    7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0522    7.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9248    7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   10.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5622    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6973    9.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5698    9.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4423    9.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3148    9.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1873    9.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    9.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1873    8.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7973    7.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6697    7.8719    0.0000 C   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  1  6  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
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
 26 15  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010120

> <COMMON_NAME>
20-ethyl PGF2alpha

> <SYSTEMATIC_NAME>
9S,11R,15S-trihydroxy-20a,20b-dihomo-5Z,13E-prostadienoic acid

> <FORMULA>
C22H38O5

> <MASS>
382.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
20-ethyl Prostaglandin F2alpha; ICI 74205

> <INCHI_KEY>
XSDVSOQSNGGUFY-GWSKAPOCSA-N

> <INCHI>
InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186979

> <ABBREVIATION>
FA 22:3;O3

> <CAYMAN_ID>
16940

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283103

> <LIPIDBANK_ID>
XPR1791

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
4559585

$$$$