Chemical Components in the PDB

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DT6 : Summary

Code

DT6

One-letter code

X

Molecule name

2,4-bisacetamido-2,4-dideoxy-beta-D-glucopyranose

Systematic names

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

Formula

C10 H18 N2 O6

Formal charge

0

Molecular weight

262.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC1C(OC(O)C(NC(=O)C)C1O)CO)C
SMILES CACTVS 3.370 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](NC(C)=O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 CC(=O)NC1C(OC(C(C1O)NC(=O)C)O)CO
Canonical SMILES CACTVS 3.370 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](NC(C)=O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO

IUPAC InChI

InChI=1S/C10H18N2O6/c1-4(14)11-7-6(3-13)18-10(17)8(9(7)16)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9+,10-/m1/s1

IUPAC InChI key

VNVBLPSANNIIQI-GRDBIXFFSA-N
DT6

wwPDB Information

Atom count

36 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2006-06-29

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned