Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

BDG : Summary

Code

BDG

One-letter code

X

Molecule name

2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose
OpenEye OEToolkits 1.5.0 (2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)oxane-2,4,5-triol

Formula

C6 H14 N2 O4

Formal charge

0

Molecular weight

178.186 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(O)C(OC(O)C1N)CN
SMILES CACTVS 3.341 NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)O)N)O)O)N
Canonical SMILES CACTVS 3.341 NC[C@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N

IUPAC InChI

InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5-,6+/m1/s1

IUPAC InChI key

SQTHUUHOUPJYLK-UKFBFLRUSA-N
BDG

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned