Molecule ID: 72715825

IUPAC Name: 16-[(2R)-1-carboxylato-3-(trimethylazaniumyl)propan-2-yl]oxy-16-oxohexadecanoate

Description: The molecule is a dicarboxylic acid monoanion that is the conjugate base of O-hexadecanedioyl-L-carnitine; major spoecies at pH 7.3. It is a conjugate base of an O-hexadecanedioyl-L-carnitine.

SMILES: C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC(=O)[O-]

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)/p-1/t20-/m1/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 6.6