CTP   

GtoPdb Ligand ID: 1741

Synonyms: cytidine triphosphate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 299.85
Molecular weight 482.98
XLogP -5.1
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1ccc(nc1=O)N
Isomeric SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(nc1=O)N
InChI InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI Key PCDQPRRSZKQHHS-XVFCMESISA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
cytidine triphosphate
Database Links
CAS Registry No. 65-47-4 (source: Scifinder)
ChEBI CHEBI:17677
ChEMBL Ligand CHEMBL223533
GtoPdb PubChem SID 135651463
PubChem CID 6176
RCSB PDB Ligand CTP
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Wikipedia Cytidine_triphosphate