LMFA04000111
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   -0.4435   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4435   -0.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4435    0.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3370   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0187   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9127   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8066   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7005   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5944   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4883   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3822   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2761   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1700   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0639   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9578   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8518   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7457   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6396   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5335   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4274   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3213   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2152   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9804    0.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0     0  0
 22 25  1  0     0  0
M  END
> <LM_ID>
LMFA04000111

> <COMMON_NAME>
(+/-)19(20)-EpDTE

> <SYSTEMATIC_NAME>
19,20-epoxydocosa-7Z,10Z,13Z,16Z-tetraenoic acid

> <FORMULA>
C22H34O3

> <MASS>
346.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(+/-)19(20)-EpDoTE;  18-(3-ethyl-2-oxiranyl)-7Z,10Z,13Z,16Z-octadecatetraenoic acid

> <INCHI_KEY>
LKOFAUCMWTWGQQ-OUVYEZRBSA-N

> <INCHI>
InChI=1S/C22H34O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,14,16,20-21H,2,5-6,11-13,15,17-19H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,16-14-

> <SMILES>
C(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
136573

> <ABBREVIATION>
FA 22:5;O

> <CAYMAN_ID>
20331

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
88553637

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Epoxy fatty acids [FA0107]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
10116

> <CITATION>
6232277

$$$$