LMFA04000058
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   20.4704    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2015    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4704    6.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7341    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9974    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2607    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5239    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7872    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0505    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5772    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8404    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1037    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3670    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6303    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8936    5.6695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1569    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4202    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9468    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4733    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7367    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8936    6.5137    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  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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  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
 16 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA04000058

> <COMMON_NAME>
14S-HDHA

> <SYSTEMATIC_NAME>
14S-hydroxy-4Z,7Z,10Z,12E,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>


> <INCHI_KEY>
ZNEBXONKCYFJAF-OUKOMXQNSA-N

> <INCHI>
InChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137347

> <ABBREVIATION>
FA 22:6;O

> <CAYMAN_ID>
15253

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921998

> <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>
10090

> <CITATION>
19965612

$$$$