Chemical Components in the PDB

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CG1 : Summary

Code

CG1

One-letter code

G

Molecule name

5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine

Systematic names

ProgramVersionName
ACDLabs 10.04 5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl methyl hydrogen phosphate

Formula

C11 H16 N5 O8 P

Formal charge

0

Molecular weight

377.247 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(OC)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
SMILES CACTVS 3.341 CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N
SMILES OpenEye OEToolkits 1.5.0 COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2N=C(NC3=O)N)O)O
Canonical SMILES CACTVS 3.341 CO[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=Nc23)N
Canonical SMILES OpenEye OEToolkits 1.5.0 CO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O

IUPAC InChI

InChI=1S/C11H16N5O8P/c1-22-25(20,21)23-2-4-6(17)7(18)10(24-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

CTLHMSXPFVHJEK-KQYNXXCUSA-N
CG1

wwPDB Information

Atom count

41 (25 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

G

Defined at

2008-03-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned