Molecule ID: 102571793

IUPAC Name: (5S,6E,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoate

Description: The molecule is a leukotriene anion that is the conjugate base of 20-hydroxy-6-trans-leukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an omega-hydroxy fatty acid anion and a leukotriene anion. It derives from a 6-trans-leukotriene B4(1-). It is a conjugate base of a 20-hydroxy-6-trans-leukotriene B4.

SMILES: O=C([O-])CCC[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C\CCCCCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][=C][/C][=C][/C@H1][Branch1][C][O][C][/C][=C][\C][C][C][C][C][O]

InChI: InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/p-1/b5-4+,7-3-,13-8+,14-9+/t18-,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.2