Molecule ID: 54147109

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

Description: The molecule is an L-cysteinyl ester obtained by formal condensation of the carboxy group of L-cysteine with the 3'-hydroxy group of AMP. It has a role as a Mycoplasma genitalium metabolite. It is an adenosine 5'-phosphate, a L-cysteinyl 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)CS)[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][N][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][C@H1][Ring2][Ring1][C][O]

InChI: InChI=1S/C13H19N6O8PS/c14-5(2-29)13(21)27-9-6(1-25-28(22,23)24)26-12(8(9)20)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20,29H,1-2,14H2,(H2,15,16,17)(H2,22,23,24)/t5-,6+,8+,9+,12+/m0/s1

Molecular Properties:
- Polar Surface Area: 219.0 Ų
- LogP: -5.8