LMFA07010638
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0     0  0            999 V2000
   24.1838    9.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1838    8.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9749    8.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9749    6.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3209    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4579    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5949    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7319    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8689    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0058    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1429    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2798    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4169    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5538    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6909    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8278    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9649    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1018    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2388    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3759    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5128    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6499    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9239    8.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1121    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2490    6.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3859    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2490    7.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  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  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  4 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010638

> <COMMON_NAME>
3-Methyl-3-butenyl docosanoate

> <SYSTEMATIC_NAME>
3-Methyl-3-butenyl docosanoate

> <FORMULA>
C27H52O2

> <MASS>
408.40

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(4:1(3E)(3Me)/22:0)

> <INCHI_KEY>
WUWPRSKUZSQABB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C27H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)29-25-24-26(2)3/h2,4-25H2,1,3H3

> <SMILES>
O=C(CCCCCCCCCCCCCCCCCCCCC)OCCC(C)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 27:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936018

> <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>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
77572

> <CITATION>
24420478

$$$$