LMFA03090008
  LIPID_MAPS_STRUCTURE_DATABASE

 44 43  0  0  0  0  0  0  0  0999 V2000
    8.1934   10.4712    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0514   10.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7945   10.0422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2806   10.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0236   10.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3309   10.3679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7666   10.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7666    9.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7945    9.1842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   10.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   11.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0244    8.9764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792    8.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4894    7.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2373    7.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5097    6.0881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2475    6.5257    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5057    6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9955    6.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0056    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   13.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5674   12.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   13.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0845   12.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3400   13.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5954   12.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8510   13.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1065   13.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3620   12.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175   13.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8729   13.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   12.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9810   11.4073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7255   11.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4692   11.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2146   11.4114    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9582   11.8392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7035   11.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4472   11.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1925   11.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9362   11.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6816   11.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9863   12.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.8848    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  9  1  1  0  0  0
  3 10  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  2  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 17 16  1  1  0  0  0
 17 19  1  0  0  0  0
 19 18  2  0  0  0  0
 19 20  1  0  0  0  0
  9 13  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 37 43  1  1  0  0  0
 33 44  1  1  0  0  0
 36  1  1  6  0  0  0
M  END
> <LM_ID>
LMFA03090008

> <COMMON_NAME>
14,15-HxA3-C(11S)

> <SYSTEMATIC_NAME>
11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid

> <FORMULA>
C30H49N3O10S

> <MASS>
643.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hepoxilins [FA0309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
14,15-Hepoxilin A3-C (11S)

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
132883

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000501501

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921902

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA03090008

$$$$