LMFA01090094
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   18.2381    6.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9485    5.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2381    6.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5228    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8069    6.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0910    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3753    6.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6594    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9436    6.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2279    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5120    6.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7963    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0804    6.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3646    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6488    6.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9330    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2172    6.1747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5014    5.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6765    5.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8515    5.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2172    6.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4302    6.4644    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1807    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  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  2  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  2  0  0  0  0
 17 21  1  6  0  0  0
 20 22  1  1  0  0  0
 20 23  1  6  0  0  0
M  END
> <LM_ID>
LMFA01090094

> <COMMON_NAME>
(13E,15R,18R)-15-hydroxy-18-bromo-13,16,17-octadecatrienoic acid

> <SYSTEMATIC_NAME>
15R-hydroxy-18-bromo-13E,16,17R-octadecatrienoic acid

> <FORMULA>
C18H29BrO3

> <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>
SDLIXPWBLXJLCF-QWVWDTGPSA-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/h10,13-14,16-17,20H,1-9,11,15H2,(H,21,22)/b13-10+/t12-,17+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935821

> <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>
88747

> <CITATION>
11958814

$$$$