LMFA01090109
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0     0  0            999 V2000
   25.2817    9.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2817   10.8713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4086    9.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5347    9.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6611    9.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7874    8.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9137    8.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0397    7.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1662    7.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2926    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4188    7.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5451    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6713    7.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7976    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9237    7.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0503    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3028    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4290    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5553    7.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6816    7.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    7.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9922    8.8688    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.1765    7.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1765    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1487    9.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0207    9.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8927    9.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27  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 25  1  0  0  0  0
 25 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090109

> <COMMON_NAME>
Ethyl 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate

> <SYSTEMATIC_NAME>
Ethyl 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate

> <FORMULA>
C25H35O3Br

> <MASS>
462.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PREFNHDXWDEDCP-KBAUWEJJSA-N

> <INCHI>
InChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16-,23-22+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185424

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935830

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
1161168

> <CITATION>
11958814

$$$$