Chemical Components in the PDB

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JZU : Summary

Code

JZU

One-letter code

X

Molecule name

5'-deoxy-5'-(sulfamoylamino)adenosine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]purine

Formula

C10 H15 N7 O5 S

Formal charge

0

Molecular weight

345.335 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](N)(=O)=O)[CH](O)[CH]3O
SMILES OpenEye OEToolkits 1.7.0 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)N)O)O)N
Canonical SMILES CACTVS 3.352 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN[S](N)(=O)=O)[C@@H](O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N

IUPAC InChI

InChI=1S/C10H15N7O5S/c11-8-5-9(14-2-13-8)17(3-15-5)10-7(19)6(18)4(22-10)1-16-23(12,20)21/h2-4,6-7,10,16,18-19H,1H2,(H2,11,13,14)(H2,12,20,21)/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

RCHUICYCIUKUIY-KQYNXXCUSA-N
JZU

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-12-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned