LMFA01090108
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0     0  0            999 V2000
   25.2868    8.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2868    9.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4135    8.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5394    8.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6655    8.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7915    7.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9176    7.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0435    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1697    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2959    6.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4218    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5479    6.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6739    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7999    6.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9258    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0521    6.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1782    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042    6.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4302    6.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5563    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6824    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8085    6.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9346    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9935    7.8626    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   26.1542    8.3633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0264    8.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8986    8.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26  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  3  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  2  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  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  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
 19 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090108

> <COMMON_NAME>
Ethyl 18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoate

> <SYSTEMATIC_NAME>
Ethyl 18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoate

> <FORMULA>
C25H35O2Br

> <MASS>
446.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GHVRQXGOEFTAJV-MDCZTPBQSA-N

> <INCHI>
InChI=1S/C25H35BrO2/c1-3-5-18-21-24(26)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-25(27)28-4-2/h7,9,18,21-22H,3-6,8,10,12,14,16,19-20,23H2,1-2H3/b9-7+,21-18-,24-22+

> <SMILES>
C(CCC#CC#C/C=C/CCCCCCC/C=C(/Br)\C=C/CCC)(=O)OCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186564

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935829

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
1161168

> <CITATION>
11958814

$$$$