LMFA01030864
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   19.5879    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3117    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5879    6.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8588    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1294    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6706    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9411    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2117    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4824    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7529    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0235    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2941    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5647    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8352    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1058    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3765    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6470    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9176    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1882    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4588    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7293    5.6653    0.0000 C   0  0  0  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
  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  1  0  0  0  0
  7  8  2  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  1  0  0  0  0
 12 13  1  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  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030864

> <COMMON_NAME>
21:3(5Z,14Z,17Z)

> <SYSTEMATIC_NAME>
5Z,14Z,17Z-heneicosatrienoic acid

> <FORMULA>
C21H36O2

> <MASS>
320.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C21:3n-4,7,16

> <INCHI_KEY>
KKVFOUYNLWZLLJ-ZVWJGDCJSA-N

> <INCHI>
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h4-5,7-8,16-17H,2-3,6,9-15,18-20H2,1H3,(H,22,23)/b5-4-,8-7-,17-16-

> <SMILES>
C(CCC/C=C\CCCCCCC/C=C\C/C=C\CCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 21:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1871145

> <CITATION>
17604037

$$$$