LMFA03050011
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2540    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9685    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6830    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3975    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1120    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8265    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    6.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    6.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    5.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591    6.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  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
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  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
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  8 23  1  1  0  0  0
M  END
> <LM_ID>
LMFA03050011

> <COMMON_NAME>
8S-HETrE

> <SYSTEMATIC_NAME>
8S-hydroxy-9E,11Z,14Z-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>
SKIQVURLERJJCK-RDCCVJQZSA-N

> <INCHI>
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,16-13+/t19-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140473

> <ABBREVIATION>
FA 20:3;O

> <CAYMAN_ID>
36360

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283148

> <LIPIDBANK_ID>
DFA8143

> <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

$$$$