LMFA03020001
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
    6.0606    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    8.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7901    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7901    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6567    8.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5265    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3928    8.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2576    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1272    8.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9953    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8635    8.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7299    7.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6567    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5265    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3928    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2576    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5981    8.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5981    9.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4662    7.8618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1272    9.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    9.3585    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
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  3  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 10  1  0  0  0  0
 10 11  2  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
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  1  0  0  0
  3 24  1  1  0  0  0
M  END
> <LM_ID>
LMFA03020001

> <COMMON_NAME>
LTB4

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

> <FORMULA>
C20H32O4

> <MASS>
336.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Leukotriene B4; 5S,12R-diHETE

> <INCHI_KEY>
VNYSSYRCGWBHLG-AMOLWHMGSA-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/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1

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

> <KEGG_ID>
C02165

> <HMDB_ID>
HMDB0001085

> <CHEBI_ID>
15647

> <ABBREVIATION>
FA 20:4;O2

> <CAYMAN_ID>
20110

> <SWISSLIPIDS_ID>
SLM:000000915

> <PUBCHEM_COMPOUND_ID>
5280492

> <LIPIDBANK_ID>
XPR3101

> <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; 9606

> <CITATION>
20671299

$$$$