LMFA04030012
  LIPID_MAPS_STRUCTURE_DATABASE

 27 26  0     0  0            999 V2000
   -0.4377   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377   -0.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4377    0.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2017   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0839   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9660   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8482   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7304   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6126   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4948   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3770   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2592   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1413   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0235   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9057   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7878   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6700   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5522   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4344   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3165   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1987   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0809   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9631   -0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0839   -1.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2592   -1.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5522    0.7581    0.0000 O   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
M  END
> <LM_ID>
LMFA04030012

> <COMMON_NAME>
Resolvin D3

> <SYSTEMATIC_NAME>
4S,11R,17S-trihydroxy-5Z,7E,9E,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>
RvD3

> <INCHI_KEY>
QBTJOLCUKWLTIC-UZAFJXHNSA-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

> <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\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138648

> <ABBREVIATION>
FA 22:6;O3

> <CAYMAN_ID>
13834

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71665428

> <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>
23438748

$$$$