LMFA03000011
  LIPID_MAPS_STRUCTURE_DATABASE

 28 29  0  0  0  0  0  0  0  0999 V2000
    5.8630    7.9104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5432    7.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8630    6.5725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5876    6.4098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1664    6.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1664    7.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5876    8.0782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2234    6.7074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.6972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1389    8.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9800    8.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8029    8.5921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6258    8.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4487    8.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    8.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946    8.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9175    8.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8226    6.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6009    5.9776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3792    6.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1574    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9356    6.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7139    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4922    6.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8202    9.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0968    9.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6164    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  3  8  1  6  0  0  0
  1  9  1  6  0  0  0
  9  8  1  0  0  0  0
  7 10  1  6  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  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
  4 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 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
 24 25  1  0  0  0  0
 12 26  1  1  0  0  0
 16 27  2  0  0  0  0
 20 28  1  6  0  0  0
M  END
> <LM_ID>
LMFA03000011

> <COMMON_NAME>
5S-HETE di-endoperoxide

> <SYSTEMATIC_NAME>
5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid

> <FORMULA>
C20H34O8

> <MASS>
402.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Other Eicosanoids [FA0300]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DOXGUXRZAOCYPM-IPIAXWAYSA-N

> <INCHI>
InChI=1S/C20H34O8/c1-2-3-4-6-14(21)9-11-16-18-13-19(28-27-18)17(26-25-16)12-10-15(22)7-5-8-20(23)24/h10,12,14-19,21-22H,2-9,11,13H2,1H3,(H,23,24)/b12-10+/t14-,15-,16-,17-,18+,19-/m0/s1

> <SMILES>
[C@@H]12OO[C@@H]([C@H](CC[C@@H](O)CCCCC)OO[C@H]1/C=C/[C@@H](O)CCCC(=O)O)C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138496

> <ABBREVIATION>
FA 20:3;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921873

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$