Molecule ID: 122164875

IUPAC Name: (5S,6Z,8E,12S,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,14-trienoate

Description: The molecule is an icosanoid anion that is the conjugate base of 10,11-dihydro-20,20-dihydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.

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

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][Branch1][C][O][O]

InChI: InChI=1S/C20H34O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-19,21-24H,1,3,7,9-12,14-16H2,(H,25,26)/p-1/b5-4+,6-2-,13-8-/t17-,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 2.9