LMFA03010023
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    7.6118    7.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    8.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531    9.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531    7.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4274    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3005    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4274    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3005    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1735    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0465    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9197    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7925    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6656    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5387    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1735    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3085    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1815    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0547    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9277    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8006    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6737    9.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8006    8.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417    6.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   10.2394    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
  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
 10 16  1  6  0  0  0
  7 17  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  5 24  2  0  0  0  0
  3 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010023

> <COMMON_NAME>
PGK2

> <SYSTEMATIC_NAME>
9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid

> <FORMULA>
C20H30O5

> <MASS>
350.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin K2

> <INCHI_KEY>
LGMXPVXJSFPPTQ-DJUJBXLVSA-N

> <INCHI>
InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,21H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165341

> <ABBREVIATION>
FA 20:5;O3

> <CAYMAN_ID>
18900

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283037

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
216666

$$$$