LMFA01030762
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0  0  0  0  0  0  0  0999 V2000
   19.9393    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6851    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4309    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1767    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9227    5.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1767    7.1225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0781    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3324    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5865    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7254    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9796    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2338    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3726    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6268    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8811    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0199    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2742    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5284    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6672    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1756    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3145    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5686    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8229    5.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0979    6.7322    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    7.0280    6.7207    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    5.8229    5.2475    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    5.2551    5.5028    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    5.1831    6.2001    0.0000 D   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
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030762

> <COMMON_NAME>
DHA (d5)

> <SYSTEMATIC_NAME>
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid (d5)

> <FORMULA>
C22H27D5O2

> <MASS>
333.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MBMBGCFOFBJSGT-RPBOKJFVSA-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-/i1D3,2D2

> <SMILES>
C(=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C([2H])([2H])C([2H])([2H])[2H])/CCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB02183

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
27357

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24778483

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$