LMFA04010528
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
    7.1995   -6.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4584   -7.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8288   -8.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3737   -9.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3400   -9.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1176   -9.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0150  -10.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3925   -8.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2314   -7.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9871   -7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8705   -8.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7188   -7.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6023   -7.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6371   -8.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4507   -7.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1228   -8.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9972   -9.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8506   -9.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9928   -9.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0998   -9.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2067   -9.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3135   -9.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4203   -9.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5271   -9.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6339   -9.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7407   -9.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8521  -10.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  6  1  1  0  0  0
  4  7  1  6  0  0  0
  2  8  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  1  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
 13 15  2  0  0  0  0
  9 16  1  0     0  0
 16 10  1  0  0  0  0
  6 17  2  0     0  0
 17 18  1  0     0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 18  1  0  0  0  0
 18 27  1  6     0  0
M  END
> <LM_ID>
LMFA04010528

> <COMMON_NAME>
14-F3t-NeuroP-DPAomega-3

> <SYSTEMATIC_NAME>
1a,1b-dihomo-8S,10R,14S-trihydroxy-12E,16Z,19Z-prostatrienoic acid-cyclo[7S,11R]

> <FORMULA>
C22H36O5

> <MASS>
380.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neuroprostanes [FA0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]cyclopentyl]hexanoic acid

> <INCHI_KEY>
YJUVORJTJGOGSR-XCEUZBJYSA-N

> <INCHI>
InChI=1S/C22H36O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h3-4,6,8,14-15,17-21,23-25H,2,5,7,9-13,16H2,1H3,(H,26,27)/b4-3-,8-6-,15-14+/t17-,18-,19+,20-,21+/m0/s1

> <SMILES>
O[C@@H]1[C@@H](CCCCCC(=O)O)[C@@H](/C=C/[C@@H](O)C/C=C\C/C=C\CC)[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
164667809

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
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]

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$