Molecule ID: 135921688

IUPAC Name: [(1R,11R,12S,13S)-5-amino-13-hydroxy-7-oxo-15-oxa-2,4,6,9-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-3(8),4,9-trien-11-yl] dihydrogen phosphate

Description: The molecule is an organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of dGMP. It has a role as a Mycoplasma genitalium metabolite. It is a N-glycosyl compound, an aromatic amine, a bridged compound, an organic heterotetracyclic compound, a phosphate monoester and a secondary alcohol. It derives from a 2'-deoxyguanosine 5'-monophosphate.

SMILES: N=c1nc(O)c2nc3n(c2[nH]1)[C@H]1C[C@H](O)[C@H](O1)[C@@H]3OP(=O)(O)O

SELFIES: [N][=C][N][=C][Branch1][C][O][C][N][=C][N][Branch1][#Branch1][C][=Ring1][Branch1][NH1][Ring1][#Branch2][C@H1][C][C@H1][Branch1][C][O][C@H1][Branch1][Ring2][O][Ring1][=Branch1][C@@H1][Ring1][O][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C10H12N5O7P/c11-10-13-7-4(9(17)14-10)12-8-6(22-23(18,19)20)5-2(16)1-3(21-5)15(7)8/h2-3,5-6,16H,1H2,(H2,18,19,20)(H3,11,13,14,17)/t2-,3+,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 182.0 Ų
- LogP: -3.8