Chemical Components in the PDB

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0DG : Summary

Code

0DG

One-letter code

G

Molecule name

2'-DEOXY-L-RIBO-FURANOSYL GUANINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 11.02 2-amino-9-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one
OpenEye OEToolkits 1.6.1 [(2S,3R,5S)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H14 N5 O7 P

Formal charge

0

Molecular weight

347.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
SMILES CACTVS 3.352 NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
SMILES OpenEye OEToolkits 1.7.0 c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N
Canonical SMILES CACTVS 3.352 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3C[C@@H](O)[C@H](CO[P](O)(O)=O)O3
Canonical SMILES OpenEye OEToolkits 1.7.0 c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N

IUPAC InChI

InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m1/s1

IUPAC InChI key

LTFMZDNNPPEQNG-SRQIZXRXSA-N
0DG

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

L-DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DG

Defined at

2000-07-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned