LMFA01070054
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   -1.6650   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650   -1.1159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3970   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2630    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6651   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1290   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7989   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3970    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2630   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1289    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8610    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9951   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8610   -1.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  1  6  1  0     0  0
  6  2  1  0     0  0
  5  7  1  0     0  0
  3  6  1  0     0  0
  1  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 10 14  1  1     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
  7 21  3  0     0  0
 21 22  1  0     0  0
M  END
> <LM_ID>
LMFA01070054

> <COMMON_NAME>
11,12-epoxy-17-bromo-8S-hydroxy-9E-heptadecen-16-ynoic acid

> <SYSTEMATIC_NAME>
11,12-epoxy-17-bromo-8S-hydroxy-9E-heptadecen-16-ynoic acid

> <FORMULA>
C17H25O4Br

> <MASS>
372.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Epoxy fatty acids [FA0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AXEPHILFMYPAOZ-OSSVZDDVSA-N

> <INCHI>
InChI=1S/C17H25BrO4/c18-13-7-3-5-9-15-16(22-15)12-11-14(19)8-4-1-2-6-10-17(20)21/h11-12,14-16,19H,1-6,8-10H2,(H,20,21)/b12-11+/t14-,15?,16?/m0/s1

> <SMILES>
C1(/C=C/[C@@H](O)CCCCCCC(=O)O)C(CCCC#CBr)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
137323817

> <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 Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Halogenated fatty acids [FA0109]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
243206

> <CITATION>
25193612

$$$$