LMFA03070057
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
   -0.4415   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4415   -0.7647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1106   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0005   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6699   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5598   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4496   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3395   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2293   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1192   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0090   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8989   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7887   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6786   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5684   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4583   -0.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3481   -0.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5598   -1.7843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4259   -2.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 11 23  1  1     0  0
 23 24  1  0     0  0
M  END
> <LM_ID>
LMFA03070057

> <COMMON_NAME>
9S-HpEPE

> <SYSTEMATIC_NAME>
9S-hydroperoxy-5Z,7E,11Z,14Z,17Z-eicosapentaenoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XQBNQSMKCKBWMY-FPRWAWDYSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h3-4,6-7,9-11,13-14,17,19,23H,2,5,8,12,15-16,18H2,1H3,(H,21,22)/b4-3-,7-6-,11-9-,13-10-,17-14+/t19-/m0/s1

> <SMILES>
C(CCC/C=C\C=C\[C@@H](OO)C/C=C\C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119171

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
163503

> <CITATION>
17886321

$$$$