Ketcher 08161712202D 1   1.00000     0.00000     0

 25 24  0     1  0            999 V2000
    6.4459   -4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4459   -5.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3118   -5.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1779   -4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0439   -3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9100   -4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7759   -3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6419   -4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419   -4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3739   -4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2399   -3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1059   -4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8380   -4.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721   -3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9721   -2.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5079   -3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5079   -2.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3118   -3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3118   -2.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1779   -5.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0439   -5.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0435   -6.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9095   -7.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9091   -8.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1773   -7.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18  1  1  0     0  0
 18  4  1  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3 20  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 16  1  0     0  0
 16 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 14  1  0     0  0
 14 13  1  0     0  0
 14 15  2  0     0  0
 16 17  1  1     0  0
 18 19  1  1     0  0
 21 22  1  0     0  0
 23 22  1  0     0  0
 23 24  1  0     0  0
 22 25  1  0     0  0
 21 20  1  0     0  0
M  END
> <ID>
CHEBI:138201

> <NAME>
18-hydroxyleukotriene B4

> <DEFINITION>
A leukotriene that is leukotriene B4 carrying an additional hydroxy substituent at position 18.

> <STAR>
3

> <SYNONYM>
18-OH-LTB4; 18-OH-LTB(4); 18-hydroxy-LTB4

> <IUPAC_NAME>
(5S,6Z,8E,10E,12R,14Z)-5,12,18-trihydroxyicosa-6,8,10,14-tetraenoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.466

> <MONOISOTOPIC_MASS>
352.22497

> <CHARGE>
0

> <SMILES>
C([C@H](/C=C/C=C/C=C\[C@H](CCCC(O)=O)O)O)/C=C\CCC(CC)O

> <INCHI>
InChI=1S/C20H32O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-7,9,12-13,17-19,21-23H,2,8,10-11,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,12-6+,13-7-/t17?,18-,19+/m0/s1

> <INCHIKEY>
SBXDKWTYHRBIPS-SYZIFMGCSA-N

> <REAXYS_REGISTRY_NUMBER>
14529500

> <PUBMED_CITATION>
16380383; 2160957; 24632148

$$$$