LMFA01090092
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
   22.7950    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7126    7.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7950    8.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8710    7.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9463    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0217    7.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0970    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1723    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2477    7.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3231    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3984    7.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4739    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5492    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6245    7.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7753    7.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8508    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9262    7.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0014    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770    8.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2477    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8738    8.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8241    8.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3576    8.5919    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   18.5934    8.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5343    7.6316    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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  3  0  0  0  0
  9 21  1  0  0  0  0
 13 22  1  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
  8 25  1  1  0  0  0
  7 25  1  6  0  0  0
  2 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090092

> <COMMON_NAME>
Methyl 18-bromo-5,6-trans-endomethylene-7,11,15-trimethyl-8E,10Z-octadecadien-17-ynoate

> <SYSTEMATIC_NAME>
Methyl 18-bromo-5,6-trans-endomethylene-7,11,15-trimethyl-8E,10Z-octadecadien-17-ynoate

> <FORMULA>
C23H35O2Br

> <MASS>
422.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QKSQHUJBUPFKLU-FVVIKQHTSA-N

> <INCHI>
InChI=1S/C23H35BrO2/c1-18(9-5-10-19(2)12-8-16-24)11-6-13-20(3)22-17-21(22)14-7-15-23(25)26-4/h6,11,13,19-22H,5,7,9-10,12,14-15,17H2,1-4H3/b13-6+,18-11-/t19?,20?,21-,22+/m0/s1

> <SMILES>
C(CCC[C@H]1C[C@@H]1C(C)/C=C/C=C(/C)\CCCC(C)CC#CBr)(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186324

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15518457

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Carbocyclic fatty acids [FA0114]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
161979

> <CITATION>
11958814

$$$$