LMFA01170145
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
    6.8105  -13.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8105  -14.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6766  -14.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5425  -13.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4086  -12.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2747  -13.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1406  -12.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0066  -13.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0066  -13.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7387  -13.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6048  -12.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4708  -13.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2028  -13.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3369  -12.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3369  -11.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8727  -12.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8727  -11.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6766  -12.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6766  -11.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5425  -14.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4086  -14.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4086  -15.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2747  -16.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5425  -16.4490    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
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01170145

> <COMMON_NAME>
18-hydroxy-18-oxo-dinorleukotriene B4

> <SYSTEMATIC_NAME>
(4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid

> <FORMULA>
C18H26O6

> <MASS>
338.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
18-COOH dinor LTB4;18-Carboxy-19,20-dinorleukotriene B4;18-Cooh-19,20-ltb4;18-carboxy dinor LTB4;18-carboxy-dinorleukotriene B4;18-hydroxy-18-oxo-19,20-dinorleukotriene B4

> <INCHI_KEY>
XWRIIHRGMKHPHN-USRRKILKSA-N

> <INCHI>
InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
63980

> <ABBREVIATION>
FA 18:5;O4

> <CAYMAN_ID>
20170

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6438938

> <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]; Eicosanoids [FA03]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Leukotrienes [FA0302]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
10116

> <CITATION>
2168887

$$$$