LMFA03020024
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
    6.0606    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2568    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1229    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9889    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8549    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7210    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5870    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5870    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4529    7.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1229    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 10 15  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  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
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 23  1  1  0  0  0
  6 24  2  0  0  0  0
M  END
> <LM_ID>
LMFA03020024

> <COMMON_NAME>
12-oxo-LTB4

> <SYSTEMATIC_NAME>
5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12-oxo-Leukotriene B4

> <INCHI_KEY>
SJVWVCVZWMJXOK-NOJHDUNKSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1

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

> <KEGG_ID>
C05949

> <HMDB_ID>
HMDB0004234

> <CHEBI_ID>
27814

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
20140

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280876

> <LIPIDBANK_ID>
XPR3111

> <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>
9823

> <CITATION>
8394361

$$$$