LMFA03020083
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
   13.5962  -19.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5962  -20.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7180  -20.5580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4746  -20.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1601  -20.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4746  -21.5720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0997  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9730  -17.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0997  -16.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2200  -17.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3400  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4599  -17.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5798  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6997  -17.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8196  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9396  -17.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0595  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1795  -17.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2994  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5393  -17.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6592  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792  -17.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990  -17.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0299  -17.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955  -16.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5798  -16.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6997  -18.5545    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7124  -20.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2098  -21.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2095  -19.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  8  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
 13 27  1  1     0  0
 14 28  1  6     0  0
  1 28  1  0  0  0  0
 29 30  2  0     0  0
  3 29  1  0     0  0
 29 31  1  0     0  0
M  END
> <LM_ID>
LMFA03020083

> <COMMON_NAME>
16-carboxy-17,18,19,20-tetranor-N-acetyl-leukotriene E3

> <SYSTEMATIC_NAME>
(5Z,7E,9E,11R,12S)-11-(N-acetyl-L-cystein-S-yl)-12-hydroxyhexadeca-5,7,9-trienedioic acid;(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid

> <FORMULA>
C21H31NO8S

> <MASS>
457.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
16-carboxy-14,15-dihydro-17,18,19,20-tetranor-N-acetyl-LTE4; 16-carboxy-17,18,19,20-tetranor-N-acetyl-LTE3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162914419

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA03020083

$$$$