PDB Chemical Component U2G

Ideal Model

Chemical Description

Name URIDYLYL-2'-5'-PHOSPHO-GUANOSINE
Synonyms PHOSPHORIC ACID-2'-[2'-DEOXY-URIDINE]ESTER-5'-GUANOSINE ESTER
Formula C19 H24 N7 O13 P
Formal charge 0
Molecular weight 589.407 g/mol
Component type NON-POLYMER

Chemical features

Atom count 64
Chiral atom count 9
Chiral atoms C1B C2B C3B C4B P C4D C3D C2D C1D
Bond count 68
Aromatic bond count 5

Chemical Identifiers

Systematic name (ACDLabs) [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name)
Systematic name (OpenEye OEToolkits) [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Chemical Descriptors

Stereo SMILES (CACTVS) NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4N5C=CC(=O)NC5=O)[C@@H](O)[C@H]3O
SMILES (CACTVS) NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[CH]4N5C=CC(=O)NC5=O)[CH](O)[CH]3O
Stereo SMILES (OpenEye) c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N
InChI descriptor InChI=1/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1/f/h22,24,34H,20H2
InChIKey descriptor DFYLLEBFVZTKHD-JMIXNGNTDC

Status Information

Last modified 2008-10-14
Created 1999-07-08
Release status REL
Model PDB code 11BG
Processing site RCSB