LMFA04030007
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0  0  0  0  0  0  0  0999 V2000
   20.8561    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6052    5.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8561    6.9888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1012    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3462    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5912    5.8633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8361    6.2960    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.0810    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3260    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5708    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8158    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0608    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5506    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7956    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0405    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2855    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5304    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7754    5.8633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0203    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5101    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7552    6.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5912    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8361    6.9117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7754    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
  7 26  1  0  0  0  0
 19 27  1  6  0  0  0
M  END
> <LM_ID>
LMFA04030007

> <COMMON_NAME>
AT-Resolvin D4

> <SYSTEMATIC_NAME>
4S,5,17R-trihydroxy-6E,8E,10E,13E,15Z,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O5

> <MASS>
376.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Resolvin Ds [FA0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
AT-RvD4

> <INCHI_KEY>
YKPLJNOOLKUEBS-ZLJGQJRBSA-N

> <INCHI>
InChI=1S/C22H32O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21(25)17-18-22(26)27/h3-4,6-13,15-16,19-21,23-25H,2,5,14,17-18H2,1H3,(H,26,27)/b6-4+,9-7+,10-8+,11-3-,15-12-,16-13+/t19-,20?,21+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53477505

> <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>
-

> <CITATION>
-

$$$$