Molecule ID: 118797960

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

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

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

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

InChI: InChI=1S/C15H21N6O10P/c16-6(1-2-8(22)23)15(25)31-11-7(3-29-32(26,27)28)30-14(10(11)24)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,24H,1-3,16H2,(H,22,23)(H2,17,18,19)(H2,26,27,28)/t6-,7+,10+,11+,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 256.0 Ų
- LogP: -6.2