LMFA03010311
  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
   14.4707    9.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046   10.5361    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
   10.1155   10.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2743    8.2611    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
  8 25  1  0     0  0
  7 26  1  0     0  0
M  END
> <LM_ID>
LMFA03010311

> <COMMON_NAME>
5,6-dihydroxy-PGB1

> <SYSTEMATIC_NAME>
9-oxo-5,6,15S-trihydroxy-8(12),13E-prostadienoic acid

> <FORMULA>
C20H32O6

> <MASS>
368.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5,6-dihydroxy-Prostaglandin B1

> <INCHI_KEY>
XSQHONVVBTUHJM-DNYCPFNASA-N

> <INCHI>
InChI=1S/C20H32O6/c1-2-3-4-6-15(21)11-9-14-10-12-17(22)16(14)13-19(24)18(23)7-5-8-20(25)26/h9,11,15,18-19,21,23-24H,2-8,10,12-13H2,1H3,(H,25,26)/b11-9+/t15-,18?,19?/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
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]

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

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
9940

> <CITATION>
6538799

$$$$