Molecule ID: 85985599

IUPAC Name: 16-hydroxy-3,7,11,15-tetramethylhexadecanoic acid

Description: The molecule is a hydroxy fatty acid obtained by hydroxylation of one of the two terminal methyl groups of phytanic acid. It has a role as a mammalian metabolite. It is a branched-chain saturated fatty acid, a long-chain fatty acid, a methyl-branched fatty acid and a hydroxy fatty acid. It derives from a phytanic acid. It is a conjugate acid of an omega-hydroxyphytanate. It derives from a hydride of a phytane.

SMILES: CC(CO)CCCC(C)CCCC(C)CCCC(C)CC(=O)O

SELFIES: [C][C][Branch1][Ring1][C][O][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H40O3/c1-16(10-6-12-18(3)14-20(22)23)8-5-9-17(2)11-7-13-19(4)15-21/h16-19,21H,5-15H2,1-4H3,(H,22,23)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 6.9