LMFA03010204
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
    7.9927    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0415    9.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0415    7.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7247    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5907    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1888    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3227    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9208    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0548    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6529    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7868    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5907    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4567    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1874    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0642    9.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1874    7.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    9.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4205    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5368    9.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6531    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7695    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  1  0  0  0
  1  2  1  0  0  0  0
  2  7  1  6  0  0  0
  4  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4 16  1  6  0  0  0
  5  3  1  0  0  0  0
  1  5  1  0  0  0  0
  5 17  1  6  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
  9 19  1  0  0  0  0
 18  9  2  0  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 11 19  1  0  0  0  0
 13 12  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 21 20  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010204

> <COMMON_NAME>
Unoprostone

> <SYSTEMATIC_NAME>
9,11-dihydroxy-15-oxo-20a,20b-dihomoprost-5Z-en-1-oic acid

> <FORMULA>
C22H38O5

> <MASS>
382.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(+)-(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-5-heptenoic acid;(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid; 13,14-dihydro-15-keto-20-ethyl PGF2alpha; Unoprostone

> <INCHI_KEY>
TVHAZVBUYQMHBC-SNHXEXRGSA-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/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
39455

> <ABBREVIATION>
FA 22:3;O3

> <CAYMAN_ID>
16680

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5311236

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
14733708

$$$$