LMFA04000029
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   25.2104    7.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1152    7.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2104    8.4637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2989    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3870    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4751    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5632    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6512    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7393    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8274    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9155    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0035    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0916    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1798    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2679    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4440    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5321    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6202    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7083    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7964    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8844    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9725    7.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2679    6.3607    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  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  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA04000029

> <COMMON_NAME>
(+/-)-13-HDoHE

> <SYSTEMATIC_NAME>
(+/-)-13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O3

> <MASS>
344.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(+/-)-13-HDHA

> <INCHI_KEY>
SEVOKGDVLLIUMT-SKSHMZPZSA-N

> <INCHI>
InChI=1S/C22H32O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,11-16,18,21,23H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
72608

> <ABBREVIATION>
FA 22:6;O

> <CAYMAN_ID>
33500

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11559259

> <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>
9606

> <CITATION>
20671299

$$$$