LMFA03010087
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  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
    8.6293    8.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8204    9.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0114    8.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4384    9.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1293   10.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1293   10.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1864    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
   10.9184    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7845    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
   13.5165    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
   10.9184    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7172   11.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7172   12.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833   12.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4492   12.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3153   12.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1813   12.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3153   13.6595    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  0  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
  7 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010087

> <COMMON_NAME>
PGI2

> <SYSTEMATIC_NAME>
6,9S-epoxy-11R,15S-dihydroxy-5Z,13E-prostadienoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin I2; Prostacyclin

> <INCHI_KEY>
KAQKFAOMNZTLHT-OZUDYXHBSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1

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

> <KEGG_ID>
C01312

> <HMDB_ID>
HMDB0001335

> <CHEBI_ID>
15552

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000390040

> <PUBCHEM_COMPOUND_ID>
5282411

> <LIPIDBANK_ID>
XPR1801

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
12538

$$$$