LMFA03060002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   12.4646    8.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    8.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7361    8.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8719    8.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0077    8.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4646    9.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3321    8.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0254    7.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0430    8.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0185    9.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0282    6.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9315    6.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9115    6.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8173    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6573    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6701    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4831    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2961    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1091    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9219    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7350    6.3607    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  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
  5 11  1  1  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA03060002

> <COMMON_NAME>
5S-HETE

> <SYSTEMATIC_NAME>
5S-hydroxy-6E,8Z,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>
5-HETE

> <INCHI_KEY>
KGIJOOYOSFUGPC-JGKLHWIESA-N

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

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

> <KEGG_ID>
C04805

> <HMDB_ID>
HMDB0011134

> <CHEBI_ID>
28209

> <ABBREVIATION>
FA 20:4;O

> <CAYMAN_ID>
34230

> <SWISSLIPIDS_ID>
SLM:000501230

> <PUBCHEM_COMPOUND_ID>
5280733

> <LIPIDBANK_ID>
DFA8129

> <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>
9986

> <CITATION>
826538

$$$$