LMFA04030018
  LIPID_MAPS_STRUCTURE_DATABASE

 32 31  0     0  0            999 V2000
    0.7656   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746   -8.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7656   -7.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8143   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7303   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6464   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5625   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4786   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3947   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3106   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2267   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1428   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0588   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9748   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8909   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8070   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7230   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6390   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5551   -8.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4712   -8.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822   -9.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3947   -9.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8909   -7.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1610   -8.8584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4747   -7.5832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0835   -8.1367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7605   -9.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1939   -9.3556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  6  0  0  0
 13 26  1  6  0  0  0
 19 27  1  6  0  0  0
 24 28  1  0     0  0
 24 29  1  0     0  0
 24 30  1  0     0  0
 23 31  1  0     0  0
 23 32  1  0     0  0
M  ISO  5  28   2  29   2  30   2  31   2  32   2
M  END
> <LM_ID>
LMFA04030018

> <COMMON_NAME>
Resolvin D3-d5

> <SYSTEMATIC_NAME>
4S,11R,17S-trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoic-21,21,22,22,22-d5 acid

> <FORMULA>
C22H27D5O5

> <MASS>
381.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Resolvin Ds [FA0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
RvD3-d5

> <INCHI_KEY>
QBTJOLCUKWLTIC-NGWGEVSUSA-N

> <INCHI>
InChI=1S/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9-/t19-,20-,21+/m0/s1/i1D3,2D2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
19512

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162642699

> <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>
-

$$$$