LMFA03060082
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0  0  0  0  0  0  0  0999 V2000
   12.2420    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    6.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6549    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8613    6.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1514    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    6.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5642    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6480    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6480    5.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5642    5.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    6.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1514    5.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    5.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420    7.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0386    6.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8507    6.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6335    5.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4165    6.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1993    5.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9822    6.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7697    5.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.4483    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   10.2123    6.4391    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   10.2555    5.2475    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   10.9981    5.2609    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000    6.3940    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   11.7847    6.4457    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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 11  1  0  0  0  0
  1 16  2  0  0  0  0
  1 17  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA03060082

> <COMMON_NAME>
20-HETE-d6

> <SYSTEMATIC_NAME>
20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid-d6

> <FORMULA>
C20H26D6O3

> <MASS>
326.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NNDIXBJHNLFJJP-KVJJYFOZSA-N

> <INCHI>
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-/i11D2,13D2,15D2

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

> <KEGG_ID>
C14748

> <HMDB_ID>
HMDB05998

> <CHEBI_ID>
180941

> <ABBREVIATION>
-

> <CAYMAN_ID>
24923

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061123

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$