LMFA03010284
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    7.5626    7.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5626    8.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    9.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0213    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    7.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    9.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2401    8.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2401    7.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1076    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9748    7.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8422    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7096    7.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5770    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4444    7.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3006   10.1732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1076    6.3194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3047    7.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1005    9.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9609    8.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1005   10.4894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4445    8.8217    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
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  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 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  2  0  0  0  0
 10 17  1  6  0  0  0
 15 18  1  0     0  0
  7 19  1  0     0  0
 19 20  1  0     0  0
 19 21  2  0     0  0
 15 22  2  0     0  0
M  END
> <LM_ID>
LMFA03010284

> <COMMON_NAME>
20-carboxy-tetranor-PGB2

> <SYSTEMATIC_NAME>
9-oxo-15S-hydroxy-8(12),13E-2,3,4,5-tetranor-prostadien-1,20-dioic acid

> <FORMULA>
C16H22O6

> <MASS>
310.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
20-carboxy-tetranor-Prostaglandin B2

> <INCHI_KEY>
AUAYKNBGLDOABN-PZBABLGHSA-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/h5,7,12,17H,1-4,6,8-10H2,(H,19,20)(H,21,22)/b7-5+/t12-/m0/s1

> <SMILES>
C1(/C=C/[C@@H](O)CCCCC(=O)O)CCC(=O)C=1CCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:5;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
10116

> <CITATION>
5550814

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