LMFA03020071
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0  0  0  0            999 V2000
   16.8628  -18.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2753  -18.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8628  -19.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2753  -20.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8628  -21.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2753  -21.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8628  -22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0378  -22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6253  -23.1542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.0378  -23.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8003  -23.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3878  -22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5628  -22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1503  -21.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3253  -21.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9128  -21.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0878  -21.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6753  -20.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6753  -21.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0878  -22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6753  -23.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0878  -23.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6753  -24.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9128  -23.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  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
 22 24  2  0  0  0  0
M  END
> <LM_ID>
LMFA03020071

> <COMMON_NAME>
6,7-dihydro-5-oxo-12-epi-LTB4

> <SYSTEMATIC_NAME>
(8E,10E,12R,14Z)-12-hydroxy-5-oxoicosa-8,10,14-trienoic acid

> <FORMULA>
C20H32O4

> <MASS>
336.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RUTQOBJLGHUCJC-ATHKOCGESA-N

> <INCHI>
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0012839

> <CHEBI_ID>
175293

> <ABBREVIATION>
FA 20:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53481528

> <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]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$