LMFA03010291
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
    7.5995    7.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484    9.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484    7.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2744    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1405    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0065    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7385    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2744    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1405    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0065    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7385    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4707    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3394   10.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3707    9.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5796   10.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1405    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0867    7.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4707    8.5606    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
  7  8  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
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  2  0  0  0  0
 12 22  1  0  0  0  0
 12 23  2  0  0  0  0
 15 24  1  6  0  0  0
 20 25  1  0     0  0
 20 26  2  0     0  0
M  END
> <LM_ID>
LMFA03010291

> <COMMON_NAME>
20-carboxy-PGB1

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

> <FORMULA>
C20H30O6

> <MASS>
366.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
20-carboxy-Prostaglandin B1

> <INCHI_KEY>
UCDFJTBYLHKGRA-BYIUCRAPSA-N

> <INCHI>
InChI=1S/C20H30O6/c21-16(7-5-6-10-20(25)26)13-11-15-12-14-18(22)17(15)8-3-1-2-4-9-19(23)24/h11,13,16,21H,1-10,12,14H2,(H,23,24)(H,25,26)/b13-11+/t16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;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>
9986

> <CITATION>
7356329

$$$$