Chemical Components in the PDB

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G35 : Summary

Code

G35

One-letter code

X

Molecule name

(5R)-5-carbamimidamido-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazolidine-2,4-dione

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 [(2R,3S,5R)-5-[(5R)-5-carbamimidamido-2,4-dioxo-imidazolidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H16 N5 O8 P

Formal charge

0

Molecular weight

353.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILES OpenEye OEToolkits 1.7.0 C1C(C(OC1N2C(C(=O)NC2=O)NC(=N)N)COP(=O)(O)O)O
Canonical SMILES CACTVS 3.352 NC(=N)N[C@@H]1N([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 1.7.0 [H]/N=C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6+/m0/s1

IUPAC InChI key

IMJMAQUBWVPHQG-SLPGGIOYSA-N
G35

wwPDB Information

Atom count

39 (23 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA linking

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-02-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned