LMFA03020090
  LIPID_MAPS_STRUCTURE_DATABASE

 36 35  0     0  0            999 V2000
   12.3098    6.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706    7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953    6.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7487    7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7596    7.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7378    7.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7268    7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    7.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7047    7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6941    7.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6832    7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6722    7.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6611    7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7039    5.8046    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6536    7.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6528    8.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5615    7.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7349    8.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5778    6.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4864    5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2874    5.6334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2763    6.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2190    5.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1902    5.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1862    6.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    5.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1964    4.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9390    4.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9138    3.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3098    6.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4864    4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7879    3.0902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2668    3.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    2.8417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890    5.0663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6365    4.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  9 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 10 18  1  1  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
  1 30  2  0  0  0  0
 20 31  1  1  0  0  0
 29 32  1  0     0  0
 29 33  1  0     0  0
 29 34  1  0     0  0
 28 35  1  0     0  0
 28 36  1  0     0  0
M  ISO  5  32   2  33   2  34   2  35   2  36   2
M  END
> <LM_ID>
LMFA03020090

> <COMMON_NAME>
LTE4-d5

> <SYSTEMATIC_NAME>
5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic-19,19,20,20,20-d5 acid

> <FORMULA>
C23H32D5NO5S

> <MASS>
457.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Leukotriene E4-d5

> <INCHI_KEY>
FLKLPOLAXDSHQP-WKDHBOITSA-N

> <INCHI>
InChI=1S/C24H40N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22(21(27)16-15-18-23(28)29)31-19-20(25)24(30)26-2/h7-8,10-14,17,20-22,27H,3-6,9,15-16,18-19,25H2,1-2H3,(H,26,30)(H,28,29)/b8-7-,11-10-,13-12+,17-14+/t20-,21-,22+/m0/s1/i1D3,3D2

> <SMILES>
C(=O)(NC)[C@@H](N)CS[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCC([2H])([2H])C([2H])([2H])[2H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
10007858

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328113

> <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>
32630

> <CITATION>
-

$$$$