Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

7S3 : Summary

Code

7S3

One-letter code

G

Molecule name

[(2R,3S,4R,5R)-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{R},3~{S},4~{R},5~{R})-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C11 H15 N4 O8 P

Formal charge

0

Molecular weight

362.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1C=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILES OpenEye OEToolkits 2.0.7 CN1C=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C1=O
Canonical SMILES CACTVS 3.385 CN1C=Nc2n(cnc2C1=O)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 2.0.7 CN1C=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C1=O

IUPAC InChI

InChI=1S/C11H15N4O8P/c1-14-3-13-9-6(10(14)18)12-4-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,16-17H,2H2,1H3,(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

IUPAC InChI key

CPKNFRPSNBOHIM-IOSLPCCCSA-N
7S3

wwPDB Information

Atom count

39 (24 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

G

Defined at

2021-10-15

Last modified at

2022-06-08

Status

Released

Obsoleted

Not Assigned