LMFA03070054
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   18.0495   -9.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0495   -9.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5495  -10.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5496  -10.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0495  -11.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0495  -11.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5495  -12.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5495  -12.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0495  -11.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0495  -11.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495  -10.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5496  -10.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0496   -9.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0496   -9.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5496  -10.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5496  -10.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0496  -11.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5496  -12.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0496  -13.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5496  -14.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0496  -15.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0496  -15.0758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5496  -15.9419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  6     0  0
  3  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 21 23  2  0     0  0
M  END
> <LM_ID>
LMFA03070054

> <COMMON_NAME>
18S-HEPE

> <SYSTEMATIC_NAME>
(5Z,8Z,11E,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid

> <FORMULA>
C20H30O3

> <MASS>
318.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LRWYBGFSVUBWMO-NQZHIPPKSA-N

> <INCHI>
InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5+,12-10-,13-11-,17-15+/t19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0012611

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53481496

> <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>
-

> <CITATION>
-

$$$$