LMFA03010285
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  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
   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
   13.5769    6.3210    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
  7 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
 14 21  1  0     0  0
M  END
> <LM_ID>
LMFA03010285

> <COMMON_NAME>
19-hydroxy-tetranor-PGB2

> <SYSTEMATIC_NAME>
9-oxo-15S,19-dihydroxy-8(12),13E-2,3,4,5-tetranor-prostadiienoic acid

> <FORMULA>
C16H24O5

> <MASS>
296.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
19-hydroxy-tetranor-Prostaglandin B2

> <INCHI_KEY>
YGUONHBDMPQETQ-WSBXXSCSSA-N

> <INCHI>
InChI=1S/C16H24O5/c1-11(17)3-2-4-13(18)7-5-12-6-9-15(19)14(12)8-10-16(20)21/h5,7,11,13,17-18H,2-4,6,8-10H2,1H3,(H,20,21)/b7-5+/t11?,13-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:4;O3

> <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>
10116

> <CITATION>
5550814

$$$$