guanosine-5'-triphosphate   

GtoPdb Ligand ID: 1742

Abbreviated name: GTP
Synonyms: guanosine triphosphate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 8
Rotatable bonds 8
Topological polar surface area 328.53
Molecular weight 522.99
XLogP -4.28
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O
Isomeric SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O
InChI InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChI Key XKMLYUALXHKNFT-UUOKFMHZSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
guanosine triphosphate
Database Links
CAS Registry No. 86-01-1 (source: Scifinder)
ChEBI CHEBI:15996
DrugBank Ligand DB04137
GtoPdb PubChem SID 135650326
PubChem CID 6830
RCSB PDB Ligand GTP
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Wikipedia Guanosine_triphosphate