LMFA03060006
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   10.6404    8.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7940    8.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9473    8.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9852    7.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228    8.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9579    9.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0083    6.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8931    6.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8530    6.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7404    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6179    8.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4643    8.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3110    8.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1575    8.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0040    8.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8506    8.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0040    9.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5626    6.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092    6.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2557    6.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1022    6.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  3  7  1  1  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
  1 13  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA03060006

> <COMMON_NAME>
8S-HETE

> <SYSTEMATIC_NAME>
8S-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid

> <FORMULA>
C20H32O3

> <MASS>
320.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-HETE

> <INCHI_KEY>
NLUNAYAEIJYXRB-VYOQERLCSA-N

> <INCHI>
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1

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

> <KEGG_ID>
C14776

> <HMDB_ID>
HMDB0004679

> <CHEBI_ID>
34486

> <ABBREVIATION>
FA 20:4;O

> <CAYMAN_ID>
34360

> <SWISSLIPIDS_ID>
SLM:000000990

> <PUBCHEM_COMPOUND_ID>
5283154

> <LIPIDBANK_ID>
DFA8131

> <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>
-

$$$$