LMFA04000109
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   -0.4409   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409   -0.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4409    0.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2178   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1064   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9950   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8837   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7723   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6610   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5496   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4382   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3269   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2155   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1041   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9928   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8814   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7701   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6587   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5473   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4360   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3246   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2133   -0.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1019   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6587   -1.7636    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  2  0  0  0  0
 10 11  1  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
 19 25  2  0     0  0
M  END
> <LM_ID>
LMFA04000109

> <COMMON_NAME>
17-oxo-DPA

> <SYSTEMATIC_NAME>
17-oxo-7Z,10Z,13Z,15E,19Z-docosapentaenoic acid

> <FORMULA>
C22H32O3

> <MASS>
344.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
EFOX; 17-oxo-7(Z),10(Z),13(Z),15(E),19(Z)-DPA; 17-oxo-DPE (DPA n-3)

> <INCHI_KEY>
PWVSFTLICCBISU-UCMLWGQMSA-N

> <INCHI>
InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11,13,15-16,19H,2,4,9-10,12,14,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,15-3-,19-16+

> <SMILES>
C(CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140239

> <ABBREVIATION>
FA 22:6;O

> <CAYMAN_ID>
9000347

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45105199

> <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>
Oxo fatty acids [FA0106]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9606

> <CITATION>
20436486

$$$$