Molecule ID: 11954059

IUPAC Name: (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid

Description: The molecule is a trihydroxyicosatrienoic acid that is (5Z,8Z,12E)-icosatrienoic acid in which the three hydroxy groups are located at positions 11, 14 and 15. It has a role as a mouse metabolite. It is a trihydroxyicosatrienoic acid and a secondary allylic alcohol. It is a conjugate acid of an 11,14,15-trihydroxy-(5Z,8Z,12E)-icosatrienoate(1-).

SMILES: CCCCCC(O)C(O)/C=C/C(O)C/C=C\C/C=C\CCCC(=O)O

SELFIES: [C][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][/C][=C][/C][Branch1][C][O][C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 3.0