LMFA03020050
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0  0  0  0            999 V2000
   18.0276  -14.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3131  -13.7124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.5987  -14.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8842  -13.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1697  -14.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1697  -14.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8842  -15.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4552  -15.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3131  -12.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5987  -12.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8842  -12.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1697  -12.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7407  -13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0262  -12.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3118  -13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3118  -14.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5973  -12.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5973  -12.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828  -11.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1684  -12.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4539  -11.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7394  -12.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0249  -11.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3104  -12.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8979  -11.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7229  -12.7769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960  -12.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  9  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  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 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  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA03020050

> <COMMON_NAME>
12-Oxo-20-trihydroxy-leukotriene B4

> <SYSTEMATIC_NAME>
(5R,6Z,8E,10E,14Z)-5,20,20,20-tetrahydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid

> <FORMULA>
C20H30O7

> <MASS>
382.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QVZXILIWUPKGPA-CWJNPFRJSA-N

> <INCHI>
InChI=1S/C20H30O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,18,22,25-27H,1,5,9-11,14-16H2,(H,23,24)/b4-3+,6-2-,12-7+,13-8-/t18-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0012553

> <CHEBI_ID>
172614

> <ABBREVIATION>
FA 20:5;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53481460

> <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>
-

$$$$