LMFA03020012
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0     0  0            999 V2000
    6.0606    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2569    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1230    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9890    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8551    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7212    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5872    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5872    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4532    7.8608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1230    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3192    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1852    7.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0511    8.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 10 15  2  0  0  0  0
 16 15  1  0  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
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 23  1  1  0  0  0
  6 24  1  1  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA03020012

> <COMMON_NAME>
LTB4 ethanol amide

> <SYSTEMATIC_NAME>
N-(2-hydroxyethyl)-5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen-1-amide

> <FORMULA>
C22H37NO4

> <MASS>
379.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Leukotriene B4 ethanol amide

> <INCHI_KEY>
DQLVVNIINUTUIU-XLFGVTECSA-N

> <INCHI>
InChI=1S/C22H37NO4/c1-2-3-4-5-6-9-13-20(25)14-10-7-8-11-15-21(26)16-12-17-22(27)23-18-19-24/h6-11,14-15,20-21,24-26H,2-5,12-13,16-19H2,1H3,(H,23,27)/b8-7+,9-6-,14-10+,15-11-/t20-,21-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002304

> <CHEBI_ID>
165293

> <ABBREVIATION>
NAE 20:4;O2

> <CAYMAN_ID>
20112

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283127

> <LIPIDBANK_ID>
XPR3114

> <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 amides [FA08]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; N-acyl ethanolamines (endocannabinoids) [FA0804]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$