LMFA04000051
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0  0  0  0  0999 V2000
   20.4488    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1788    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4488    6.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7135    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9778    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2421    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5064    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7708    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0351    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2995    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5638    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8281    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0924    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3567    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6210    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8853    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1497    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4140    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9427    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2070    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4713    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7357    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6784    5.6689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4126    6.9406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6784    6.5167    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  2  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  2  0  0  0  0
 18 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  6  0  0  0
 26 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA04000051

> <COMMON_NAME>
17S-HpDHA

> <SYSTEMATIC_NAME>
17S-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BNHQALRBDJVUQB-YTQNUIGOSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
136113

> <ABBREVIATION>
FA 22:6;O2

> <CAYMAN_ID>
13185

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921992

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$