guanosine   Click here for help

GtoPdb Ligand ID: 4567

PDB Ligand
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 2
Topological polar surface area 159.51
Molecular weight 283.09
XLogP -1.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1nc(N)[nH]c2=O
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O
InChI InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
InChI Key NYHBQMYGNKIUIF-UUOKFMHZSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Database Links Click here for help
CAS Registry No. 118-00-3 (source: Scifinder)
ChEBI CHEBI:16750
ChEMBL Ligand CHEMBL375655
GtoPdb PubChem SID 178101288
PubChem CID 6802
RCSB PDB Ligand GMP
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Wikipedia Guanosine