Molecule ID: 13811

IUPAC Name: 2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid

Description: The molecule is a pyridinium ion obtained by formal condensation of four molecules of lysine. It has a role as a biomarker. It is a pyridinium ion and a lysine derivative.

SMILES: NC(CCCC[n+]1cc(CCC(N)C(=O)O)cc(CCC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O

SELFIES: [N][C][Branch2][Branch1][Ring2][C][C][C][C][N+1][=C][C][Branch1][N][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][=C][C][Branch1][N][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring2][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1

Molecular Properties:
- Polar Surface Area: 257.0 Ų
- LogP: -10.1