Molecule ID: 118797959

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

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

SMILES: N=C(O)CC[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][O][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/C15H22N7O9P/c16-6(1-2-8(17)23)15(25)31-11-7(3-29-32(26,27)28)30-14(10(11)24)22-5-21-9-12(18)19-4-20-13(9)22/h4-7,10-11,14,24H,1-3,16H2,(H2,17,23)(H2,18,19,20)(H2,26,27,28)/t6-,7+,10+,11+,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 261.0 Ų
- LogP: -6.9