LMFA03010247
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    7.9927    7.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416    9.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416    7.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017    9.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6678    9.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6678    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5338    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2658    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1319    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9979    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5338    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337    9.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    9.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337   10.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7300    7.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639    8.8606    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  2  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
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
  5 17  2  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 18 20  2  0  0  0  0
 15 21  1  0     0  0
 15 22  2  0     0  0
M  END
> <LM_ID>
LMFA03010247

> <COMMON_NAME>
tetranor-PGJM

> <SYSTEMATIC_NAME>
11,15-dioxo-2,3,4,5-tetranor-9-prosten-1,20-dioic acid

> <FORMULA>
C16H22O6

> <MASS>
310.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-[(1R,2S)-2-(2-carboxyethyl)-5-oxocyclopent-3-en-1-yl]-6-oxooctanoic acid; tetranor-PGJ Metabolite

> <INCHI_KEY>
KPFBKANRLYZJQP-DGCLKSJQSA-N

> <INCHI>
InChI=1S/C16H22O6/c17-12(3-1-2-4-15(19)20)7-8-13-11(5-9-14(13)18)6-10-16(21)22/h5,9,11,13H,1-4,6-8,10H2,(H,19,20)(H,21,22)/t11-,13-/m1/s1

> <SMILES>
[C@H]1(CCC(=O)CCCCC(=O)O)C(=O)C=C[C@@H]1CCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183603

> <ABBREVIATION>
FA 16:5;O4

> <CAYMAN_ID>
13363

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
58060656

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
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]

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
32644

> <CITATION>
-

$$$$