LMFA02000183
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   21.5047    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4062    7.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5047    8.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5966    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6881    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7796    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8711    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9626    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0542    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1457    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2372    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4201    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5116    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6031    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6946    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7861    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8776    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9691    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5966    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  4 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000183

> <COMMON_NAME>
2-HOTrE

> <SYSTEMATIC_NAME>
2-hydroxy-9Z,12Z,15Z-octadecatrienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
alpha-Hydroxy-alpha-linolenic acid; alpha-Hydroxylinolenic acid

> <INCHI_KEY>
JQXGCBKGIBTCHY-PDBXOOCHSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-

> <SMILES>
C(C(O)CCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165778

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
39100

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312775

> <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>
268918

> <CITATION>
-

$$$$