LMFA04000060
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   20.5587    5.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2939    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5587    6.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8182    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0772    5.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3363    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5954    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8545    5.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1135    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3727    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6318    5.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8909    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4090    5.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6681    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9272    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1864    5.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4454    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7045    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9636    5.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2227    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4817    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7409    5.6719    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7409    6.5209    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  1  0  0  0  0
 15 16  2  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
 23 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA04000060

> <COMMON_NAME>
21-HDHA

> <SYSTEMATIC_NAME>
21-hydroxy-4Z,7Z,10Z,13Z,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>
IXAMNXQQWDOFMN-NZONWQNASA-N

> <INCHI>
InChI=1S/C22H32O3/c1-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22(24)25/h2,4-5,7-8,10-11,13-14,16-17,19,21,23H,3,6,9,12,15,18,20H2,1H3,(H,24,25)/b4-2-,7-5-,10-8-,13-11-,16-14-,19-17-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
132325

> <ABBREVIATION>
FA 22:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000501496

> <PUBCHEM_COMPOUND_ID>
52922000

> <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

$$$$