LMFA03010289
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0     0  0            999 V2000
    7.3204    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3204    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6294    8.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8204    9.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0114    8.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4385    9.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1294   10.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1294   10.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1865    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0525    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9185    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7844    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6505    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5164    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3825    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2486    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9185    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9956   10.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8615   10.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7275   10.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5935   10.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4595   10.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3255   10.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4595   11.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9956   11.8506    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
  3  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  4  8  1  6  0  0  0
  2  9  1  1  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 17  1  6  0  0  0
  1 18  1  6  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 23 25  2  0  0  0  0
 19 26  1  1     0  0
M  END
> <LM_ID>
LMFA03010289

> <COMMON_NAME>
5beta-hydroxy-6alpha-PGI1

> <SYSTEMATIC_NAME>
6R,9S-epoxy-5S,11R,15S-trihydroxy-13E-prostaenoic acid

> <FORMULA>
C20H34O6

> <MASS>
370.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5beta-hydroxy-6alpha-Prostaglandin I1; 5beta-hydroxy-PGI1alpha; 5beta-hydroxy-Prostaglandin I1alpha

> <INCHI_KEY>
QDAJZCYWALSQIG-QSXTXFDWSA-N

> <INCHI>
InChI=1S/C20H34O6/c1-2-3-4-6-13(21)9-10-14-15-11-19(26-18(15)12-17(14)23)16(22)7-5-8-20(24)25/h9-10,13-19,21-23H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14+,15+,16-,17+,18-,19-/m0/s1

> <SMILES>
[C@@H]1(O)C[C@@H]2O[C@H]([C@@H](O)CCCC(=O)O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101126615

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9940

> <CITATION>
6365915

$$$$