LMFA07090165
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
   -0.4304   -0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304   -0.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304    0.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974   -0.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1646   -0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0320   -0.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994   -0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7667    0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6341    0.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5015    1.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3689    1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2363    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1037    1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9711    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8384    1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7058    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5732    1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4406    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3079    1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1753    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3116   -2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1768   -1.7693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115   -3.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465   -1.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4187   -2.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3079    2.7392    0.0000 C   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  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  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  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 24  2  1  6  0  0  0
 19 26  1  0     0  0
M  END
> <LM_ID>
LMFA07090165

> <COMMON_NAME>
Heterofibrin B2

> <SYSTEMATIC_NAME>
2S-(17-methyl-9E-octadecen-5,7-diynoyloxy)propanoic acid

> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
FAHFA(19:5(5Y,7Y,9E)/2-O-3:0)

> <INCHI_KEY>
DSADWXLBBLJYHL-SGSXCFNPSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(23)26-20(3)22(24)25/h4-5,19-20H,7,9,11,13-18H2,1-3H3,(H,24,25)/b5-4+/t20-/m0/s1

> <SMILES>
C(CCCC#CC#C/C=C/CCCCCCC(C)C)(=O)O[C@@H](C)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FAHFA 22:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46862738

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2619710

> <CITATION>
20626092

$$$$