Molecule ID: 7045767

IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acyl-L-carnitine where the acyl group specified is acetyl. It facilitates movement of acetyl-CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an O-acetylcarnitine and a saturated fatty acyl-L-carnitine. It derives from a carnitine. It is an enantiomer of an O-acetyl-D-carnitine.

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

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

InChI: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.4