Molecule ID: 91825640

IUPAC Name: (3R)-3-(6-carboxyhexanoyloxy)-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acyl-L-carnitine that is L-carnitine having a pimelyl group as the acyl substituent. It is an O-acyl-L-carnitine and an O-pimelylcarnitine.

SMILES: C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCC(=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][=Branch1][C][=O][O]

InChI: InChI=1S/C14H25NO6/c1-15(2,3)10-11(9-13(18)19)21-14(20)8-6-4-5-7-12(16)17/h11H,4-10H2,1-3H3,(H-,16,17,18,19)/t11-/m1/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.1