Molecule ID: 100927890

IUPAC Name: (5Z,8Z,13E)-11,12,15-trihydroxyicosa-5,8,13-trienoic acid

Description: The molecule is a trihydroxyicosatrienoic acid that is (5Z,8Z,13E)-icosatrienoic acid in which the three hydroxy groups are located at positions 11, 12 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 11,12,15-trihydroxy-(5Z,8Z,13E)-icosatrienoate.

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

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

InChI: InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(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