Chemical Components in the PDB

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7GU : Summary

Code

7GU

One-letter code

G

Molecule name

7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
OpenEye OEToolkits 1.5.0 [(2R,3S,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C11 H15 N4 O7 P

Formal charge

0

Molecular weight

346.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2c(N=C(N)N1)n(cc2)C3OC(C(O)C3)COP(=O)(O)O
SMILES CACTVS 3.341 NC1=Nc2n(ccc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
SMILES OpenEye OEToolkits 1.5.0 c1cn(c2c1C(=O)NC(=N2)N)C3CC(C(O3)COP(=O)(O)O)O
Canonical SMILES CACTVS 3.341 NC1=Nc2n(ccc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C11H15N4O7P/c12-11-13-9-5(10(17)14-11)1-2-15(9)8-3-6(16)7(22-8)4-21-23(18,19)20/h1-2,6-8,16H,3-4H2,(H2,18,19,20)(H3,12,13,14,17)/t6-,7+,8+/m0/s1

IUPAC InChI key

XSAPYRXAHBJNQR-XLPZGREQSA-N
7GU

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DG

Defined at

2004-08-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned