LMFA03000039
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
   11.3881   -7.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2456   -7.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3980   -7.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5400   -7.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6827   -7.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -7.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9986   -7.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550   -6.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6443   -6.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5043   -6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3620   -6.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3517   -6.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2094   -6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0662   -6.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9243   -6.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7815   -6.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6398   -6.6510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7812   -5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1039   -7.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1034   -7.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9597   -7.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8314   -7.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5923   -8.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 16 18  2  0     0  0
  2 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 19 23  1  1     0  0
 20 23  1  1     0  0
M  END
> <LM_ID>
LMFA03000039

> <COMMON_NAME>
17S,18R-EpETE

> <SYSTEMATIC_NAME>
17S,18R-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

> <FORMULA>
C20H30O3

> <MASS>
318.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Other Eicosanoids [FA0300]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(5Z,8Z,11Z,14Z)-(17S,18R)-17,18-Epoxyicosa-5,8,11,14-tetraenoic acid

> <INCHI_KEY>
GPQVVJQEBXAKBJ-YQLHGUCYSA-N

> <INCHI>
InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
76955

> <ABBREVIATION>
FA 20:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
27076755

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
1404

> <CITATION>
8798438

$$$$