LMFA03010277
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    7.9414    7.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9414    8.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9901    9.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    8.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9901    7.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    9.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6171    8.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    7.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6171    7.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4835    7.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3498    7.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2161    7.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0824    7.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9489    7.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6810   10.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4835    6.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6175    8.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4838    9.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3502    8.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    9.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6810    6.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3502    7.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0824    8.8124    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  1  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  1  0  0  0  0
  5 21  2  0  0  0  0
 19 22  2  0     0  0
 13 23  2  0     0  0
M  END
> <LM_ID>
LMFA03010277

> <COMMON_NAME>
omega-carboxy-2,3,18,19-tetranor-13,14-dihydro-15-keto-PGD2

> <SYSTEMATIC_NAME>
9-Hydroxy-11,15-dioxo-2,3,18,19-tetranorprost-5-ene-1,20-dioic acid

> <FORMULA>
C16H22O7

> <MASS>
326.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
omega-carboxy-2,3,18,19-tetranor-13,14-dihydro-15-keto-Prostaglandin D2

> <INCHI_KEY>
QRKPLLLQZJCOLR-BWEANOATSA-N

> <INCHI>
InChI=1S/C16H22O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-13,18H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:5;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6441790

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; 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]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Carbocyclic fatty acids [FA0114]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Unsaturated fatty acids [FA0103]; Dicarboxylic acids [FA0117]

> <ALT_CLASS_LEVEL4S>
-; -; -; -; -

> <TAXONOMY>
9541

> <CITATION>
108269

$$$$