LMFA03020025
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
    6.0607    8.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533    8.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8461    8.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7387    8.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6313    8.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5239    8.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4166    8.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3092    8.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2018    8.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0944    8.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9872    8.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8798    8.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8798    9.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7725    8.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7896    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8202    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7130    6.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6056    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4982    6.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3909    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2835    6.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3092    9.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4166    7.5276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3092    8.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2018    7.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0944    8.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9872    7.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2018    6.9091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0944    8.4553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1761    6.3607    0.0000 O   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
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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
  8 23  1  1  0  0  0
  7 24  1  6  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
 26 29  1  1  0  0  0
 27 30  2  0  0  0  0
 22 31  1  0  0  0  0
M  END
> <LM_ID>
LMFA03020025

> <COMMON_NAME>
20-hydroxy-LTE4

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

> <FORMULA>
C23H37NO6S

> <MASS>
455.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
20-hydroxy-Leukotriene E4

> <INCHI_KEY>
BJRMBXPQAMDCMG-CMJQBAFXSA-N

> <INCHI>
InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1

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

> <KEGG_ID>
C03577

> <HMDB_ID>
HMDB0012639

> <CHEBI_ID>
28700

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280606

> <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>
10116

> <CITATION>
2826163

$$$$