LMFA01090158
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
   -0.4346   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4346   -0.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346    0.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1861   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0621   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9381   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8141   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6900   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5660   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4420   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3179   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1939   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0699   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9458   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8218   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6978   -0.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5737   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4497   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3257   -0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6978    0.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7637   -1.7564    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -16.0328   -0.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8666   -1.4598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  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
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  2  0     0  0
 17 21  1  1     0  0
 20 22  1  6     0  0
 20 23  1  1     0  0
 18 24  1  0     0  0
M  END
> <LM_ID>
LMFA01090158

> <COMMON_NAME>
(12E,15S,18S)-15-hydroxy-18-bromo-12,16,17-octadecatrienoic acid

> <SYSTEMATIC_NAME>
15S-hydroxy-18S-bromo-12E,16,17-octadecatrienoic acid

> <FORMULA>
C18H29O3Br

> <MASS>
372.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RBYYPRIJRZKHRI-WTARSOORSA-N

> <INCHI>
InChI=1S/C18H29BrO3/c19-16-12-14-17(20)13-10-8-6-4-2-1-3-5-7-9-11-15-18(21)22/h8,10,14,16-17,20H,1-7,9,11,13,15H2,(H,21,22)/b10-8+/t12-,17+/m1/s1

> <SMILES>
C(CCCCCCCCCC/C=C/C[C@H](O)C([H])=[C@@]=C([H])Br)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101102958

> <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]; Octadecanoids [FA02]

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$