LMFA03020064
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   11.3624  -13.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3624  -14.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2283  -14.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0943  -13.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9604  -12.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8265  -13.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6925  -12.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5586  -13.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5586  -13.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2905  -13.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1566  -12.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0227  -13.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7548  -13.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8888  -12.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8888  -11.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4247  -12.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4247  -11.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2283  -12.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2283  -11.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0943  -14.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9604  -14.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8265  -14.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6925  -14.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5586  -14.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4247  -14.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18  1  1  0  0  0  0
 18  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  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  2  0  0  0  0
  9 16  1  0  0  0  0
 16 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  1  0  0  0
 18 19  1  1  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  2  0  0  0  0
M  END
> <LM_ID>
LMFA03020064

> <COMMON_NAME>
20-oxo-leukotriene B4

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

> <FORMULA>
C20H30O5

> <MASS>
350.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LVLQYGYNBVIONY-PSPARDEHSA-N

> <INCHI>
InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0012641

> <CHEBI_ID>
63979

> <ABBREVIATION>
FA 20:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000501202

> <PUBCHEM_COMPOUND_ID>
6449839

> <LIPIDBANK_ID>
-

> <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>
9606

> <CITATION>
9675028

$$$$