LMFA01030185
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0  0  0  0  0  0  0  0999 V2000
   18.5234    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2379    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9524    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6669    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3815    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6669    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6984    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9840    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2695    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4445    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7301    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0156    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1906    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4761    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7617    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9367    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2223    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5078    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9684    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.6600    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
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030185

> <COMMON_NAME>
DHA

> <SYSTEMATIC_NAME>
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O2

> <MASS>
328.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Cervonic acid; Docosahexaenoic acid; C22:6n-3,6,9,12,15,18

> <INCHI_KEY>
MBMBGCFOFBJSGT-KUBAVDMBSA-N

> <INCHI>
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

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

> <KEGG_ID>
C06429

> <HMDB_ID>
HMDB0002183

> <CHEBI_ID>
28125

> <ABBREVIATION>
FA 22:6

> <CAYMAN_ID>
26414

> <SWISSLIPIDS_ID>
SLM:000001084

> <PUBCHEM_COMPOUND_ID>
445580

> <LIPIDBANK_ID>
DFA0224

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20671299

$$$$