Chemical Components in the PDB

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GCN : Summary

Code

GCN

One-letter code

X

Molecule name

2-amino-2,3-dideoxy-alpha-D-glucoyranose

Synonyms

3-DEOXY-D-GLUCOSAMINE
3-deoxy-alpha-D-glucosamine

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranose
OpenEye OEToolkits 1.5.0 (2S,3R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,5-diol

Formula

C6 H13 N O4

Formal charge

0

Molecular weight

163.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(OC(O)C(N)C1)CO
SMILES CACTVS 3.341 N[CH]1C[CH](O)[CH](CO)O[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(OC(C1O)CO)O)N
Canonical SMILES CACTVS 3.341 N[C@@H]1C[C@H](O)[C@@H](CO)O[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N

IUPAC InChI

InChI=1S/C6H13NO4/c7-3-1-4(9)5(2-8)11-6(3)10/h3-6,8-10H,1-2,7H2/t3-,4+,5-,6+/m1/s1

IUPAC InChI key

SNDZDGQLFKEBLF-MOJAZDJTSA-N
GCN

wwPDB Information

Atom count

24 (11 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