LMFA03060040
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0  0  0  0  0  0  0  0999 V2000
    5.5798    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3951    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3951    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
    8.6225    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6225    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
   10.7407    6.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4467    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    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
   10.7407    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4467    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4467    7.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7695    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  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMFA03060040

> <COMMON_NAME>
9-HpETE

> <SYSTEMATIC_NAME>
9-hydroperoxy-5,7E,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-OIZRIKEUSA-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+

> <SMILES>
C(OO)(C/C=C\C/C=C\CCCCC)/C=C/C=C\CCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
78732

> <ABBREVIATION>
FA 20:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283173

> <LIPIDBANK_ID>
DFA8081

> <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>
-

$$$$