LMFA03010244
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    8.0027    7.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0027    8.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    9.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515    8.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    7.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8183    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8183    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4374    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3104    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1834    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0565    7.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6994    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5724    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4455    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3186    9.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4455    8.0577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1834    8.8727    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  1  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  2  0  0  0  0
  3 15  1  6  0  0  0
 10 16  2  0  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  2  0  0  0  0
  5 21  1  1  0  0  0
 19 22  1  0     0  0
 13 23  1  0     0  0
M  END
> <LM_ID>
LMFA03010244

> <COMMON_NAME>
PGDM

> <SYSTEMATIC_NAME>
9alpha,11beta-dihydroxy-15-oxo-13,14-dihydro-2,3,18,19-tetranor-prostan-1,20-dioic acid

> <FORMULA>
C16H24O7

> <MASS>
328.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin D Metabolite

> <INCHI_KEY>
XSGSZQDCVYMZGQ-YQQXMBKZSA-N

> <INCHI>
InChI=1S/C16H24O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-14,18-19H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+,14+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:4;O5

> <CAYMAN_ID>
13454

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71751556

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Dicarboxylic acids [FA0117]; Carbocyclic fatty acids [FA0114]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
9606

> <CITATION>
3863815

$$$$