Molecule ID: 71464503

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

Description: The molecule is an O-acylcarnitine having 3-hydroxydecanoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, a carboxylic ester and an ammonium betaine. It derives from a carnitine.

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

SELFIES: [C][C][C][C][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][N+1][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C17H33NO5/c1-5-6-7-8-9-10-14(19)13-17(22)23-15(18(2,3)4)11-12-16(20)21/h14-15,19H,5-13H2,1-4H3

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 3.6