Chemical Components in the PDB

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D3Z : Summary

Code

D3Z

One-letter code

X

Molecule name

1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.0 1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-methyl-oxolan-2-yl]pyrimidine-2,4-dione

Formula

C9 H12 N2 O5

Formal charge

0

Molecular weight

228.202 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)C
SMILES CACTVS 3.341 C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 1.5.0 CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O
Canonical SMILES CACTVS 3.341 C[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O

IUPAC InChI

InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6+,7-,8-/m0/s1

IUPAC InChI key

WUBAOANSQGKRHF-UCVXFZOQSA-N
D3Z

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-05-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned