LMFA03020037
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
    6.4628    6.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2184    6.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498    6.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6813    6.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4127    6.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1439    6.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7314    6.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0211    5.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6878    5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4344    5.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1809    5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276    5.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6741    5.2099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4209    5.6409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1675    5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9140    5.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6607    5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1439    5.9373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8069    6.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8061    6.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4072    5.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1539    5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
 15 21  1  1  0  0  0
 14 21  1  1  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA03020037

> <COMMON_NAME>
14,15-LTA4

> <SYSTEMATIC_NAME>
14S,15S-epoxy-5Z,8Z,10E,12E-eicosatetraenoic acid

> <FORMULA>
C20H30O3

> <MASS>
318.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Eoxin A4; EXA4

> <INCHI_KEY>
URDQSJSEGRMOIT-FDMWOPBLSA-N

> <INCHI>
InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-10,13,16,18-19H,2-3,5,11-12,14-15,17H2,1H3,(H,21,22)/b6-4-,9-7-,10-8+,16-13+/t18-,19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
63983

> <ABBREVIATION>
FA 20:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921883

> <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>
-

> <CITATION>
-

$$$$