Molecule ID: 118797913

IUPAC Name: (2S)-2-amino-6-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]hexanoic acid

Description: The molecule is an L-lysine derivative that is the phosphoramidate obtained by formal condensation of the phosphate group of AMP with the side-chain amino group of L-lysine. It has a role as a Mycoplasma genitalium metabolite. It is a L-lysine derivative, a nucleotide-amino acid and an organic phosphoramidate. It derives from an adenosine 5'-monophosphate.

SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)NCCCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O

SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O]

InChI: InChI=1S/C16H26N7O8P/c17-8(16(26)27)3-1-2-4-22-32(28,29)30-5-9-11(24)12(25)15(31-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-25H,1-5,17H2,(H,26,27)(H2,18,19,20)(H2,22,28,29)/t8-,9+,11+,12+,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 241.0 Ų
- LogP: -5.8