LMFA03020015
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8264    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5409    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2553    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9699    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6843    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6843    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3987    6.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8264    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.7225    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  1  6  0  0  0
M  END
> <LM_ID>
LMFA03020015

> <COMMON_NAME>
12-epi-LTB4

> <SYSTEMATIC_NAME>
5S,12S-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>
12-epi-Leukotriene B4

> <INCHI_KEY>
VNYSSYRCGWBHLG-CBBLYLIKSA-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+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0005088

> <CHEBI_ID>
72795

> <ABBREVIATION>
FA 20:4;O2

> <CAYMAN_ID>
20135

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283130

> <LIPIDBANK_ID>
XPR3117

> <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>
20671299

$$$$