LMFA03010062
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
    7.6124    7.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6124    8.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    9.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    7.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    9.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    7.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750    7.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0483    7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9216    7.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7949    7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6683    7.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5416    7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   10.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3100    9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1833    9.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0567    9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9300    9.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8034    9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6768    9.5630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8034    8.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3488    8.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7626    8.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  6  0  0  0
  6  7  1  0  0  0  0
  1  8  1  1  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  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010062

> <COMMON_NAME>
11-deoxy-16,16-dimethyl-PGE2

> <SYSTEMATIC_NAME>
9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid

> <FORMULA>
C22H36O4

> <MASS>
364.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11-deoxy-16,16-dimethyl-Prostaglandin E2

> <INCHI_KEY>
LLVVDFDWPQHXBA-QEJIITRLSA-N

> <INCHI>
InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,13,15,17-18,20,24H,4-5,7,9-12,14,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165300

> <ABBREVIATION>
FA 22:4;O2

> <CAYMAN_ID>
14570

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283063

> <LIPIDBANK_ID>
XPR1744

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
4413891

$$$$