LMFA07090164
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   -0.4308   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7717    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6400    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5083    1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3766    1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2449    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1132    1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9815    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8497    1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7180    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5863    1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4546    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3228    1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1911    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130   -2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791   -1.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3129   -3.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4470   -1.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4191   -2.2708    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
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 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
M  END
> <LM_ID>
LMFA07090164

> <COMMON_NAME>
Heterofibrin A2

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

> <FORMULA>
C21H30O4

> <MASS>
346.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
FAHFA(18:5(5Y,7Y,9E)/2-O-3:0)

> <INCHI_KEY>
VTFYUTDOCZDRSM-VYENPZKTSA-N

> <INCHI>
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h10-11,19H,3-9,16-18H2,1-2H3,(H,23,24)/b11-10+/t19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FAHFA 21:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46862735

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2619710

> <CITATION>
20626092

$$$$