Chemical Components in the PDB

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DJ2 : Summary

Code

DJ2

One-letter code

X

Molecule name

(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol

Formula

C10 H14 N6 O4

Formal charge

0

Molecular weight

282.256 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NOC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES OpenEye OEToolkits 2.0.6 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CON)O)O)N
Canonical SMILES CACTVS 3.385 NOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILES OpenEye OEToolkits 2.0.6 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N

IUPAC InChI

InChI=1S/C10H14N6O4/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(20-10)1-19-12/h2-4,6-7,10,17-18H,1,12H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

NHSVFFNZROZDBB-KQYNXXCUSA-N
DJ2

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-17

Last modified at

2019-01-25

Status

Released

Obsoleted

Not Assigned