LMFA07010635
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   19.0090    9.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0090    8.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8004    8.0841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8004    6.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1459    8.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2827    8.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4194    8.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5561    8.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6930    8.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8297    8.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9665    8.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1032    8.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2400    8.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3768    8.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5135    8.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6502    8.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    8.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9238    8.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9372    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0739    6.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2107    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0739    7.8825    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
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010635

> <COMMON_NAME>
WE 4:1(3E)(3Me)/16:0

> <SYSTEMATIC_NAME>
3-Methyl-3-butenyl hexadecanoate

> <FORMULA>
C21H40O2

> <MASS>
324.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(4:1(3E)(3Me)/16:0)

> <INCHI_KEY>
ZYMJMSWGXGHNKM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h2,4-19H2,1,3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184168

> <ABBREVIATION>
WE 21:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936015

> <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

$$$$