Molecule ID: 36247

IUPAC Name: 14-methylpentadecanoic acid

Description: The molecule is a methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 14. It is a biomarker for rheumatoid arthritis. It has a role as a biomarker and a mammalian metabolite. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a long-chain fatty acid. It derives from a pentadecanoic acid.

SMILES: CC(C)CCCCCCCCCCCCC(=O)O

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

InChI: InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.1