LMFA03070004
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
    5.9410    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7559    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9410    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7559    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4315    6.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4616    6.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1673    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4616    5.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1673    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9821    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9821    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6878    6.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3934    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0992    6.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048    6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5105    6.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6878    5.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3934    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048    7.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2082    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9139    5.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6195    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
  1 23  1  6  0  0  0
M  END
> <LM_ID>
LMFA03070004

> <COMMON_NAME>
9S-HEPE

> <SYSTEMATIC_NAME>
9S-hydroxy-5Z,7E,11Z,14Z,17Z-eicosapentaenoic 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>
OXOPDAZWPWFJEW-FPRWAWDYSA-N

> <INCHI>
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/b4-3-,7-6-,11-9-,13-10-,17-14+/t19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165275

> <ABBREVIATION>
FA 20:5;O

> <CAYMAN_ID>
32410

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283187

> <LIPIDBANK_ID>
DFA8121

> <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>
-

$$$$