LMFA03010206
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    6.4011    8.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9933    7.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9933    9.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9513    8.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9513    7.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8238    9.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6961    8.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7035    8.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5761    9.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4486    8.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3211    9.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0659    9.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1934    8.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1934    8.0571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8238    7.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6961    7.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4411    7.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3136    7.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1859    7.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0584    7.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9310    7.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5686    7.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5686    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   10.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6  5  1  0  0  0  0
  2  3  2  0  0  0  0
  4 25  1  6  0  0  0
  5  7  1  6  0  0  0
  6 16  1  1  0  0  0
  7  8  1  0  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 14  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18 19  1  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
 23 24  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010206

> <COMMON_NAME>
15-keto-PGD2

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

> <FORMULA>
C20H30O5

> <MASS>
350.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15-dehydro-prostaglandin D2; (5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate; 15-dehydro-prostaglandin D2; 15-deoxy-15-oxo-prostaglandin D2

> <INCHI_KEY>
XEQAHADLFLAPQL-RBIQQSKKSA-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/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+/m1/s1

> <SMILES>
C1C(=O)[C@H](/C=C/C(=O)CCCCC)[C@@H](C/C=C\CCCC(=O)O)[C@H]1O

> <KEGG_ID>
C04758

> <HMDB_ID>
HMDB0062297

> <CHEBI_ID>
15557

> <ABBREVIATION>
FA 20:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280727

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9823

> <CITATION>
6958674

$$$$