Chemical Components in the PDB

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Z3Q : Summary

Code

Z3Q

One-letter code

X

Molecule name

2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
OpenEye OEToolkits 1.7.6 N-[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Formula

C10 H18 N4 O6

Formal charge

0

Molecular weight

290.273 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC1C(O)C(O)C(OC1OCC\N=[N+]=[N-])CO)C
SMILES CACTVS 3.370 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCN=[N+]=[N-]
SMILES OpenEye OEToolkits 1.7.6 CC(=O)NC1C(C(C(OC1OCCN=[N+]=[N-])CO)O)O
Canonical SMILES CACTVS 3.370 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCN=[N+]=[N-]
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O

IUPAC InChI

InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1

IUPAC InChI key

DHQJPCIPZHPDSL-VVULQXIFSA-N
Z3Q

wwPDB Information

Atom count

38 (20 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

NAG

Defined at

2012-12-20

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned