LMFA04010526
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
   12.3578  -11.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0742  -12.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0217   -9.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8922   -9.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0217  -10.8477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1449   -9.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2676   -9.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3904   -9.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5130   -9.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6358   -9.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7586   -9.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8813   -9.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0041   -9.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1268   -9.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2496   -9.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3723   -9.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2161  -10.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0743  -11.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9325  -10.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7907  -11.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4843   -9.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4095   -9.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3577  -10.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4004  -11.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606  -10.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2278   -8.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0453  -12.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  1 17  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 18  2  1  1     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 21  1  0     0  0
 21 26  1  6     0  0
 24 27  1  6     0  0
 22 16  1  1     0  0
 23  1  1  1     0  0
M  END
> <LM_ID>
LMFA04010526

> <COMMON_NAME>
20-epi-20-F3t-NeuroP-DPAn-3

> <SYSTEMATIC_NAME>
12-((1S,2R,3R,5S)-3,5-dihydroxy-3R-hydroxy-1E-penten-1-yl)cyclopentyl)-dodeca-7Z,10Z-dienoic acid

> <FORMULA>
C22H36O5

> <MASS>
380.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neuroprostanes [FA0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OGWNLPPYWRCLEL-UTVGKDMWSA-N

> <INCHI>
InChI=1S/C22H36O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,8,10,14-15,17-21,23-25H,2,5-7,9,11-13,16H2,1H3,(H,26,27)/b4-3-,10-8-,15-14+/t17-,18+,19-,20+,21-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328150

> <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>
-

$$$$