LMFA01090086
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   21.5848    6.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5848    7.8561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7153    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8451    6.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9749    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1047    6.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2345    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3643    6.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4943    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6240    6.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7538    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8838    6.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0135    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1434    6.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2733    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4031    6.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5331    7.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6629    7.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7926    7.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3576    8.8531    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   22.4485    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3169    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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  3  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090086

> <COMMON_NAME>
Methyl (5E,17E)-18-bromo-octadeca-5,17-diene-15-ynoate

> <SYSTEMATIC_NAME>
Methyl 18-bromo-octadeca-5E,17E-diene-15-ynoate

> <FORMULA>
C19H29O2Br

> <MASS>
368.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RJHPNNYGRMJAPM-GEFYFZSISA-N

> <INCHI>
InChI=1S/C19H29BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h9,11,16,18H,2-8,10,13,15,17H2,1H3/b11-9+,18-16+

> <SMILES>
C(CCC/C=C/CCCCCCCCC#C/C=C/Br)(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15518451

> <LIPIDBANK_ID>
-

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Short fatty esters [FA0710]; 

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
174060

> <CITATION>
11958814

$$$$