LMFA03010243
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    6.0606    8.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6627    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377    7.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377    9.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6627    9.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4638    9.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3532    9.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4638    7.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3532    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2461    7.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1338    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0233    7.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9127    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8022    7.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6898    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4884    9.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2461    9.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1338    9.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2461    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2473   10.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5561    7.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6893    8.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  5  1  0  0  0  0
  6  7  1  0  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
  3  8  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  2  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
  4  6  1  6  0  0  0
 10 19  2  0  0  0  0
 17 20  2  0     0  0
 15 21  1  0     0  0
 15 22  2  0     0  0
M  END
> <LM_ID>
LMFA03010243

> <COMMON_NAME>
Tetranor-PGAM

> <SYSTEMATIC_NAME>
8-[(1S,5R)-5-(2-carboxyethyl)-4-oxocyclopent-2-en-1-yl]-6-oxooctanoic acid

> <FORMULA>
C16H22O6

> <MASS>
310.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
tetranor-Prostaglandin A Metabolite; Tetranor-PGA-M

> <INCHI_KEY>
HYPIFMOQVFWSBF-WCQYABFASA-N

> <INCHI>
InChI=1S/C16H22O6/c17-12(3-1-2-4-15(19)20)7-5-11-6-9-14(18)13(11)8-10-16(21)22/h6,9,11,13H,1-5,7-8,10H2,(H,19,20)(H,21,22)/t11-,13+/m0/s1

> <SMILES>
C1C(=O)[C@H](CCC(=O)O)[C@@H](CCC(=O)CCCCC(=O)O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190816

> <ABBREVIATION>
FA 16:5;O4

> <CAYMAN_ID>
13369

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
58560006

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9606

> <CITATION>
18632314

$$$$