LMFA03060101
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
   22.7558    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6277    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7558    7.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8775    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9987    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1199    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2414    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3626    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4838    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6053    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7264    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8477    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9690    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0903    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2116    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3328    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4541    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5752    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6967    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8180    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2414    7.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0903    7.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 23  1  1  0  0  0
 14 24  1  6  0  0  0
M  END
> <LM_ID>
LMFA03060101

> <COMMON_NAME>
5S,12S-DiHETE

> <SYSTEMATIC_NAME>
5S,12S-dihydroxy-6E,8Z,10E,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>
VNYSSYRCGWBHLG-RYYHSVJXSA-N

> <INCHI>
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165285

> <ABBREVIATION>
FA 20:4;O2

> <CAYMAN_ID>
35260

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9997164

> <LIPIDBANK_ID>
-

> <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>
9823

> <CITATION>
6289381

$$$$