5'-GMP   Click here for help

GtoPdb Ligand ID: 5123

Synonyms: GMP | guanosine 5'-monophosphate | guanosine monophosphate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 4
Topological polar surface area 215.85
Molecular weight 363.06
XLogP -1.82
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OC1C(O)C(OC1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O
Isomeric SMILES O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O
InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChI Key RQFCJASXJCIDSX-UUOKFMHZSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Synonyms Click here for help
GMP | guanosine 5'-monophosphate | guanosine monophosphate
Database Links Click here for help
CAS Registry No. 85-32-5
ChEBI CHEBI:17345
ChEMBL Ligand CHEMBL283807
DrugBank Ligand DB01972
GtoPdb PubChem SID 178101816
PubChem CID 6804
RCSB PDB Ligand G, G25, 5GP
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Wikipedia Guanosine_monophosphate