Chemical Components in the PDB

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TG : Summary

Code

TG

One-letter code

G

Molecule name

2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one

Formula

C9 H11 N5 O7 P

Formal charge

0

Molecular weight

332.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1=Nc2n(cnc2C(=O)N1)[CH]3OC[CH](O[P](O)(=O)=O)[CH]3O
SMILES OpenEye OEToolkits 2.0.6 c1nc2c(n1C3C(C(CO3)OP(=O)(=O)O)O)N=C(NC2=O)N
Canonical SMILES CACTVS 3.385 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3OC[C@H](O[P](O)(=O)=O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N

IUPAC InChI

InChI=1S/C9H11N5O7P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(15)3(1-20-8)21-22(17,18)19/h2-3,5,8,15H,1H2,(H,17,18,19)(H3,10,12,13,16)/t3-,5+,8+/m0/s1

IUPAC InChI key

RGZPMPBDCRFFGY-OTEWCHCRSA-N
TG

wwPDB Information

Atom count

33 (22 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

G

Defined at

2018-10-23

Last modified at

2019-05-30

Status

Released

Obsoleted

Not Assigned