Chemical Components in the PDB

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GDA : Summary

Code

GDA

One-letter code

X

Molecule name

4-amino-4-deoxy-beta-D-glucopyranose

Synonyms

4-amino-4-deoxy-beta-D-glucose
4-amino-4-deoxy-D-glucose
4-amino-4-deoxy-glucose

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R},3~{R},4~{S},5~{S},6~{S})-5-azanyl-6-(hydroxymethyl)oxane-2,3,4-triol

Formula

C6 H13 N O5

Formal charge

0

Molecular weight

179.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO
SMILES OpenEye OEToolkits 2.0.7 C(C1C(C(C(C(O1)O)O)O)N)O
Canonical SMILES CACTVS 3.385 N[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N)O

IUPAC InChI

InChI=1S/C6H13NO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6-/m1/s1

IUPAC InChI key

BXZVZSSSRTUQJP-VFUOTHLCSA-N
GDA

wwPDB Information

Atom count

25 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2003-02-07

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned