Molecule ID: 44223981

IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2S)-2,6-diaminohexanoate

Description: The molecule is an L-lysyl ester obtained by formal condensation of the carboxy group of L-lysine with the 3'-hydroxy group of AMP. It has a role as a Mycoplasma genitalium metabolite. It is an adenosine 5'-phosphate, a L-lysyl ester and a purine ribonucleoside 5'-monophosphate. It derives from an adenosine 5'-monophosphate.

SMILES: NCCCC[C@H](N)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O

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

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

Molecular Properties:
- Polar Surface Area: 244.0 Ų
- LogP: -6.0