LMFA03010262
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
    7.9927    7.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416    9.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416    7.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2657    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1318    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9978    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2657    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1318    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9978    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639    9.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9978   10.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7299    7.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639    8.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  2  6  1  6     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  1 13  1  1     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
  3 21  2  0     0  0
 12 22  1  0     0  0
 12 23  2  0     0  0
 15 24  1  6     0  0
  5 25  1  6     0  0
 20 26  1  0     0  0
 20 27  2  0     0  0
M  END
> <LM_ID>
LMFA03010262

> <COMMON_NAME>
20-carboxy-PGE1

> <SYSTEMATIC_NAME>
9-oxo-11R,15S,20-trihydroxy-13E-prosten-1,20-dioic acid

> <FORMULA>
C20H32O7

> <MASS>
384.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
20-carboxy-Prostaglandin E1; omega-carboxy-PGE1;  omega-carboxy-Prostaglandin E1

> <INCHI_KEY>
IOSNGMVUJDOUCM-YLVODBDGSA-N

> <INCHI>
InChI=1S/C20H32O7/c21-14(7-5-6-10-20(26)27)11-12-16-15(17(22)13-18(16)23)8-3-1-2-4-9-19(24)25/h11-12,14-16,18,21,23H,1-10,13H2,(H,24,25)(H,26,27)/b12-11+/t14-,15+,16+,18+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9986

> <CITATION>
659437

$$$$