Molecule ID: 118797956

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

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

SMILES: N=C(N)NCCC[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][Branch1][C][N][N][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/C16H26N9O8P/c17-7(2-1-3-21-16(19)20)15(27)33-11-8(4-31-34(28,29)30)32-14(10(11)26)25-6-24-9-12(18)22-5-23-13(9)25/h5-8,10-11,14,26H,1-4,17H2,(H2,18,22,23)(H4,19,20,21)(H2,28,29,30)/t7-,8+,10+,11+,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 283.0 Ų
- LogP: -6.9