Ketcher 08161711272D 1   1.00000     0.00000     0

 25 24  0     1  0            999 V2000
    1.0234   -0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893   -2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7554   -0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6215   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2195   -0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2195   -0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9515   -0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8176   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6837   -0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4157   -0.8764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5497   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5497    0.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0856   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0856    0.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893    0.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7554   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6215   -2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535   -2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2195   -1.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535   -3.3764    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
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
M  CHG  1  13  -1
M  END
> <ID>
CHEBI:137390

> <NAME>
19-hydroxyleukotriene B4(1-)

> <DEFINITION>
A leukotriene anion that is the conjugate base of 19-hydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
19-hydroxy-LTB4(1-); 19-hydroxy-leukotriene B4; (6Z,8E,10E,14Z )-(5S,12R)-5,12,19-trihydroxyeicosa-6,8,10,14-tetraenoate

> <IUPAC_NAME>
(5S,6Z,8E,10E,12R,14Z)-5,12,19-trihydroxyicosa-6,8,10,14-tetraenoate

> <FORMULA>
C20H31O5

> <MASS>
351.458

> <MONOISOTOPIC_MASS>
351.21770

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C20H32O5/c1-17(21)11-6-2-3-7-12-18(22)13-8-4-5-9-14-19(23)15-10-16-20(24)25/h3-5,7-9,13-14,17-19,21-23H,2,6,10-12,15-16H2,1H3,(H,24,25)/p-1/b5-4+,7-3-,13-8+,14-9-/t17?,18-,19-/m1/s1

> <INCHIKEY>
XZKUIIFETKOPRD-VUKNTZOFSA-M

> <PUBMED_CITATION>
16380383; 24632148

$$$$