LMFA03020009
  LIPID_MAPS_STRUCTURE_DATABASE

 39 38  0     0  0            999 V2000
    6.0606    9.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9435   10.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8266    9.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7093   10.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    9.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4751   10.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3579    9.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2407   10.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1238    9.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065   10.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8894    9.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7723   10.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7723   11.3305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6550    9.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7815    8.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    8.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6839    8.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667    8.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4496    8.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3324    8.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2153    8.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2407   11.3305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3579    8.9093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2407    9.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1238    8.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065    9.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8894    8.9093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1238    7.8899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065    9.8268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065    7.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8894    7.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7723    7.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6550    7.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6550    8.9093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5379    7.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4209    7.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5379    6.3606    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
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
M  END
> <LM_ID>
LMFA03020009

> <COMMON_NAME>
LTF4

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

> <FORMULA>
C28H44N2O8S

> <MASS>
568.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Leukotriene F4

> <INCHI_KEY>
PYSODLWHFWCFLV-VJBFNVCUSA-N

> <INCHI>
InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1

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

> <KEGG_ID>
C06462

> <HMDB_ID>
HMDB0006465

> <CHEBI_ID>
27491

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280938

> <LIPIDBANK_ID>
XPR3501

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
10116

> <CITATION>
6122208

$$$$