Molecule ID: 71464531

IUPAC Name: 4-(7-carboxyheptanoyloxy)-4-(trimethylazaniumyl)butanoate

Description: The molecule is an O-acylcarnitine having suberoyl (7-carboxyheptanoyl) as the acyl substituent. It has a role as a metabolite. It derives from a suberic acid. It is a conjugate acid of an O-suberoylcarnitine(1-).

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

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

InChI: InChI=1S/C15H27NO6/c1-16(2,3)12(10-11-14(19)20)22-15(21)9-7-5-4-6-8-13(17)18/h12H,4-11H2,1-3H3,(H-,17,18,19,20)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 2.1