LMFA03060072
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0  0  0  0  0  0  0  0999 V2000
    5.5799    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5799    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0701    6.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1012    6.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8073    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1012    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8073    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6226    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6226    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3286    6.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0346    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7408    6.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4469    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1529    6.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3286    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0346    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7408    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4469    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1529    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4469    7.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7696    8.0904    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
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 15 22  2  0  0  0  0
  1 23  1  6  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMFA03060072

> <COMMON_NAME>
9S-HpETE

> <SYSTEMATIC_NAME>
9S-hydroperoxy-5Z,7E,11Z,14Z-eicosatetraenoic acid

> <FORMULA>
C20H32O4

> <MASS>
336.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LIYCOTUUWOESJK-VBLHFSPLSA-N

> <INCHI>
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1

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

> <KEGG_ID>
C14821

> <HMDB_ID>
-

> <CHEBI_ID>
34497

> <ABBREVIATION>
FA 20:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9548878

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$