LMFA03020021
  LIPID_MAPS_STRUCTURE_DATABASE

 34 33  0     0  0            999 V2000
    7.8539    8.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7505    8.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470    8.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5437    8.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4402    8.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3368    8.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2334    8.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1300    8.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0266    8.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9233    8.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8198    8.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7165    8.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7165    9.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6130    8.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1300    9.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2334    7.3959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1300    7.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0266    7.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9233    7.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8198    7.3959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7165    7.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6130    7.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0266    6.3606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9233    8.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6130    6.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5096    7.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9573    8.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9573    6.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8539    7.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7505    6.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470    7.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5437    6.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  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
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  8 15  1  1  0  0  0
  7 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 18 23  1  1  0  0  0
 19 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMFA03020021

> <COMMON_NAME>
11-trans-LTD4

> <SYSTEMATIC_NAME>
5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E14Z-eicosatetraenoic acid

> <FORMULA>
C25H40N2O6S

> <MASS>
496.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11-trans-Leukotriene D4

> <INCHI_KEY>
YEESKJGWJFYOOK-KJGJJCHRSA-N

> <INCHI>
InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9+,12-11+,16-13+/t20-,21-,22+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140493

> <ABBREVIATION>
-

> <CAYMAN_ID>
20330

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283135

> <LIPIDBANK_ID>
XPR3302

> <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>
6895848

$$$$