LMFA03070015
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
    6.0606    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5249    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6589    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3909    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2570    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1229    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9890    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8549    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7210    7.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8549    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5249    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3909    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2570    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    9.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5869    8.3607    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 10 13  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 12 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA03070015

> <COMMON_NAME>
methyl 8-hydroperoxy-5,9,11,14,17-eicosapentaenoate

> <SYSTEMATIC_NAME>
methyl 8-hydroperoxy-5,9,11,14,17-eicosapentaenoate

> <FORMULA>
C21H32O4

> <MASS>
348.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RPNGXJGENMMHNE-YMSLFUGYSA-N

> <INCHI>
InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-11-14-17-20(25-23)18-15-12-13-16-19-21(22)24-2/h4-5,7-8,10-12,14-15,17,20,23H,3,6,9,13,16,18-19H2,1-2H3/b5-4-,8-7-,11-10-,15-12-,17-14+

> <SMILES>
C(/C=C/C(OO)C/C=C\CCCC(=O)OC)=C/C/C=C\C/C=C\CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197244

> <ABBREVIATION>
FA 21:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283198

> <LIPIDBANK_ID>
DFA8098

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$