LMFA03070062
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0     0  0            999 V2000
    5.4990    0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565    0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4990   -1.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565   -1.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4722   -0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4722   -1.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881   -1.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4456    0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3613   -0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2770    0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1929   -0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1086    0.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0243   -0.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1086    1.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3039   -1.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2196   -1.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1353   -1.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1927   -1.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1084   -1.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0241   -1.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3039   -0.3288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7531   -1.4909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6245   -0.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5639   -2.0195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7088   -1.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6300   -0.3893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
  7 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  2  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 17 23  1  1  0  0  0
 22 24  1  0     0  0
 22 25  1  0     0  0
 21 26  1  0     0  0
 21 27  1  0     0  0
 22 28  1  0     0  0
M  ISO  5  24   2  25   2  26   2  27   2  28   2
M  END
> <LM_ID>
LMFA03070062

> <COMMON_NAME>
15S-HEPE-d5

> <SYSTEMATIC_NAME>
15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic-19,19,20,20,20-d5 acid

> <FORMULA>
C20H25D5O3

> <MASS>
323.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15(S)-hydroxy EPA-d5

> <INCHI_KEY>
WLKCSMCLEKGITB-SUTOMXFYSA-N

> <INCHI>
InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1/i1D3,2D2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
31221

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162640801

> <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>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$