LMFA03050005
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
    5.5275    6.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3711    6.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5275    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3711    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1017    6.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8323    6.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1017    5.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8323    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5628    6.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2934    6.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0240    6.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7546    6.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4851    6.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2158    6.8502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4851    5.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5628    5.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2933    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0238    5.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7543    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4849    5.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2154    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5628    5.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17  9  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
 22 21  1  0  0  0  0
 10 23  1  6  0  0  0
M  END
> <LM_ID>
LMFA03050005

> <COMMON_NAME>
5S-HETrE

> <SYSTEMATIC_NAME>
5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid

> <FORMULA>
C20H34O3

> <MASS>
322.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LSADDRSUZRRBAN-FDSUASFTSA-N

> <INCHI>
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+/t19-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
88359

> <ABBREVIATION>
FA 20:3;O

> <CAYMAN_ID>
36230

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283143

> <LIPIDBANK_ID>
DFA8142

> <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>
9606

> <CITATION>
20671299

$$$$