LMFA07090114
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0     0  0            999 V2000
    1.2874   -1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247   -1.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4313    0.0416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1547   -1.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0980   -1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.8294   -1.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6954   -1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5614   -1.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4274   -1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2935   -1.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1595   -1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0255   -1.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1518    0.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8915   -1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  5  4  1  0     0  0
  4  6  2  0     0  0
  4  7  1  0     0  0
  5  2  1  0     0  0
  3  8  1  0     0  0
  8  9  1  0     0  0
  1 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
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 19 20  1  0     0  0
  1 21  2  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
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  7 28  1  0     0  0
 27 29  1  0     0  0
M  END
> <LM_ID>
LMFA07090114

> <COMMON_NAME>
FAHFA 3:0/2O(FA 22:0)

> <SYSTEMATIC_NAME>
2-propanoyloxy-docosanoic acid

> <FORMULA>
C25H48O4

> <MASS>
412.36

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
SFAHFA; 2propionyloxydocosanoic acid

> <INCHI_KEY>
LOWKAPOAYDKKLR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25(27)28)29-24(26)4-2/h23H,3-22H2,1-2H3,(H,27,28)

> <SMILES>
C(=O)(O)C(OC(CC)=O)CCCCCCCCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FAHFA 25:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
88852878

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
32415683

$$$$