Molecule ID: 25321064

IUPAC Name: (5Z,8Z,11Z,14Z,18R)-18-hydroxyicosa-5,8,11,14-tetraenoate

Description: The molecule is a 18-HETE(1-) that is the conjugate base of 18(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 18(R)-HETE.

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

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

InChI: InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/p-1/b6-4-,7-5-,12-10-,13-11-/t19-/m1/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 5.4