Molecule ID: 135412779

IUPAC Name: (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid

Description: The molecule is an L-lysine derivative that is the aldimine obtained via formal condensation of the side-chain amino group of L-lysine with the carbonyl group of pyridoxal phosphate. It is a L-lysine derivative, an organic phosphate, an aldimine, a member of methylpyridines and a monohydroxypyridine. It derives from a pyridoxal.

SMILES: Cc1ncc(COP(=O)(O)O)c(C=NCCCC[C@H](N)C(=O)O)c1O

SELFIES: [C][C][=N][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][S][C][=N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring2][Ring1][#Branch1][O]

InChI: InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 176.0 Ų
- LogP: -4.0