LMFA03020042
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0  0  0  0            999 V2000
   14.7462   -8.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4606   -8.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4606   -9.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1751   -9.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1751  -10.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8896  -11.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8896  -11.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1751  -12.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1751  -13.1662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8896  -13.5788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4606  -13.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7462  -13.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0317  -13.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3172  -13.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6027  -13.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8882  -13.1663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1738  -13.5788    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4593  -13.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7448  -13.5788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7448  -14.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0304  -13.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0304  -12.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3159  -13.5788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8882  -12.3413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1738  -11.9287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6027  -11.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3172  -12.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0317  -11.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0317  -11.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3172  -10.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7462  -10.6912    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
> <LM_ID>
LMFA03020042

> <COMMON_NAME>
10,11-Dihydro-12R-hydroxy-leukotriene E4

> <SYSTEMATIC_NAME>
(5S,6R,7E,9E,12S,14Z)-6-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5,12-dihydroxyicosa-7,9,14-trienoic acid

> <FORMULA>
C23H39NO6S

> <MASS>
457.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FZJOTYMARNGISF-YXSOTRFDSA-N

> <INCHI>
InChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6-,9-7+,15-10+/t18-,19+,20-,21+/m0/s1

> <SMILES>
CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0012501

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53481446

> <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]; Amino fatty acids [FA0110]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$