Molecule ID: 122164879

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

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

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

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

InChI: InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,15-11-/t18-,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 5.0