Chemical Components in the PDB

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AZZ : Summary

Code

AZZ

One-letter code

X

Molecule name

3'-azido-3'-deoxythymidine

Synonyms

Azidothymidine
Zidovudine

Systematic names

ProgramVersionName
ACDLabs 12.01 3'-azido-3'-deoxythymidine
OpenEye OEToolkits 1.7.6 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Formula

C10 H13 N5 O4

Formal charge

0

Molecular weight

267.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1NC(=O)N(C=C1C)C2OC(C(\N=[N+]=[N-])C2)CO
SMILES CACTVS 3.370 CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O
SMILES OpenEye OEToolkits 1.7.6 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]
Canonical SMILES CACTVS 3.370 CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

IUPAC InChI

InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1

IUPAC InChI key

HBOMLICNUCNMMY-XLPZGREQSA-N
AZZ

wwPDB Information

Atom count

32 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

2007-11-14

Last modified at

2012-07-12

Status

Released

Obsoleted

Not Assigned