LMFA04000098
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
   -0.4379   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -0.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    0.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9678   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8503   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7329   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6155   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4980   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3806   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2632   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1457   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0283   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9109   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7935   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6760   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5586   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4412   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3237   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2063   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0889   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9714   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7329    0.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9109    0.7584    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  1  0  0  0  0
  8  9  1  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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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
 16 26  1  6  0  0  0
M  END
> <LM_ID>
LMFA04000098

> <COMMON_NAME>
Mar1n-3 DPA

> <SYSTEMATIC_NAME>
7R,14S-dihydroxy-8E,10E,12Z,16Z,19Z-docosapentaenoic acid

> <FORMULA>
C22H34O4

> <MASS>
362.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QWOUVGWCGKEVEB-NEVPTXAHSA-N

> <INCHI>
InChI=1S/C22H34O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-8,10-12,16-17,20-21,23-24H,2,5,9,13-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,16-11-,17-12+/t20-,21-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140256

> <ABBREVIATION>
FA 22:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132472313

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
25225129

$$$$