LMFA01090087
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   18.0650    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0650    6.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3437    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6219    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9001    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1782    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4565    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7347    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0130    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5692    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8476    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1257    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4040    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9603    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2387    6.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5169    6.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7950    6.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    5.8971    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   18.7814    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5017    5.6635    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>
LMFA01090087

> <COMMON_NAME>
(5E,17Z)-18-bromo-octadeca-5,17-diene-15-ynoic acid

> <SYSTEMATIC_NAME>
18-bromo-octadeca-5E,17Z-diene-15-ynoic acid

> <FORMULA>
C19H29BrO2

> <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-MZGZWARZSA-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>
56935817

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
174060

> <CITATION>
11958814

$$$$