Molecule ID: 5282965

IUPAC Name: (E)-9,10,13-trihydroxyoctadec-11-enoic acid

Description: The molecule is a TriHOME that is (11E)-octadec-11-enoic acid in which the three hydroxy substituents are located at positions 9, 10 and 13. It has a role as a human blood serum metabolite. It is a TriHOME, a monounsaturated fatty acid, a long-chain fatty acid and a straight-chain fatty acid.

SMILES: CCCCCC(O)/C=C/C(O)C(O)CCCCCCCC(=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][=Branch1][C][=O][O]

InChI: InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 3.1