LMFA04040003
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
   -0.4402   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4402    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2145   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1019   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9892   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8766   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7639   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6513   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5386   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4259   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3133   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2006   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0880   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9753   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8627   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6374   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5247   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4120   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2994   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1867   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0741   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4259   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6374   -1.7792    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  2  0  0  0  0
  7  8  1  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  1  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
 12 25  1  6  0  0  0
 19 26  1  1  0  0  0
M  END
> <LM_ID>
LMFA04040003

> <COMMON_NAME>
Protectin DX

> <SYSTEMATIC_NAME>
10S,17S-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexaenoic acid

> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Protectins [FA0404]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
PDX; 10S,17S-DiHDoHE; 10S,17S-diHDHA

> <INCHI_KEY>
CRDZYJSQHCXHEG-XLBFCUQGSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138653

> <ABBREVIATION>
FA 22:6;O2

> <CAYMAN_ID>
10008128

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11667655

> <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; 3847

> <CITATION>
23740966; 19818771

$$$$