Molecule ID: 461

IUPAC Name: 3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acylcarnitine having palmitoyl (hexadecanoyl) as the acyl substituent. It has a role as a metabolite. It derives from a hexadecanoic acid.

SMILES: CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][N+1][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 7.7