LMFA04000068
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0  0  0  0  0  0  0  0999 V2000
   17.3224    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5976    6.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8727    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1480    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4231    6.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6982    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9734    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484    6.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5235    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7986    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0739    6.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3490    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8994    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1745    6.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4496    6.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7249    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6242    6.4684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6242    7.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1027    6.5038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.8832    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6635    6.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4440    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2243    6.5038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0955    7.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5154    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6672    7.7757    0.0000 O   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  2  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  2  0  0  0  0
 12 18  1  0  0  0  0
 18 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  6  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  1  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA04000068

> <COMMON_NAME>
4S-hydroperoxy-17S-HDHA

> <SYSTEMATIC_NAME>
4S-hydroperoxy-17S-hydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O5

> <MASS>
376.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZKUDWLWHTKEJGJ-OSKNXYPTSA-N

> <INCHI>
InChI=1S/C22H32O5/c1-2-3-12-15-20(23)16-13-10-8-6-4-5-7-9-11-14-17-21(27-26)18-19-22(24)25/h3-5,8-14,16-17,20-21,23,26H,2,6-7,15,18-19H2,1H3,(H,24,25)/b5-4-,10-8-,11-9-,12-3-,16-13+,17-14+/t20-,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138641

> <ABBREVIATION>
FA 22:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53477499

> <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]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9606

> <CITATION>
21766791

$$$$