LMFA02000484
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   -0.4435   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4435   -0.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4435    0.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3370   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0187   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9126   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8065   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7004   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5943   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4882   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3821   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2760   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1699   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0638   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9577   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8516   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7455   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6394   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5333   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4272   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3211   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2150   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248   -1.7681    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  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  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
  6 25  2  0     0  0
M  END
> <LM_ID>
LMFA02000484

> <COMMON_NAME>
4-oxo DHA

> <SYSTEMATIC_NAME>
4-oxo-5E,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid

> <FORMULA>
C22H30O3

> <MASS>
342.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-oxo Docosahexaenoic Acid

> <INCHI_KEY>
UHNUULCIKILOHW-PQVBWYSWSA-N

> <INCHI>
InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:7;O

> <CAYMAN_ID>
21373

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24822699

> <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>
32630

> <CITATION>
25413005

$$$$