LMFA04030005
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0     0  0            999 V2000
   25.0608    7.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9585    7.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0608    8.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1564    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2515    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3467    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4420    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5373    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6324    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7276    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8229    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9181    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0134    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1085    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2038    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2988    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3941    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4893    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5845    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8700    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9655    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6720    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7276    8.6709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5845    8.6315    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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  2  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
  9 25  1  6  0  0  0
 10 26  1  1  0  0  0
 19 27  1  1  0  0  0
M  END
> <LM_ID>
LMFA04030005

> <COMMON_NAME>
AT-Resolvin D1

> <SYSTEMATIC_NAME>
7S,8R,17R-trihydroxy-4Z,9E,11E,13Z,15E,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-RvD1

> <INCHI_KEY>
OIWTWACQMDFHJG-BJEBZIPWSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138179

> <ABBREVIATION>
FA 22:6;O3

> <CAYMAN_ID>
13060

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16126783

> <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>
9606

> <CITATION>
17244615

$$$$