LMFA02000459
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
    0.8846   -7.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590   -8.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7471   -7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6215   -8.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4957   -7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702   -8.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2447   -7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1193   -8.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9935   -7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9935   -6.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8678   -8.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -8.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -9.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728   -7.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7515   -8.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7683   -8.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6490   -7.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5296   -8.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4103   -7.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917   -8.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1729   -7.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0540   -8.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1728   -6.8533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0063   -7.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8454   -8.8871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6138   -8.8812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
  9 11  1  0     0  0
  1 12  1  0     0  0
 12 13  2  0     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 21 24  1  0     0  0
 20 25  1  0     0  0
 20 26  1  0     0  0
M  ISO  5  22   2  23   2  24   2  25   2  26   2
M  END
> <LM_ID>
LMFA02000459

> <COMMON_NAME>
10-oxo-12Z-octadecenoic acid-d5

> <SYSTEMATIC_NAME>
10-oxooctadec-12Z-enoic-17,17,18,18,18-d5 acid

> <FORMULA>
C18H27D5O3

> <MASS>
301.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12(Z)-10-oxoOME-d5

> <INCHI_KEY>
IEQLMTRAAYQDSD-PJKSMEJXSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-/i1D3,2D2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
36986

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168323045

> <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>
Oxo fatty acids [FA0106]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$