Chemical Components in the PDB

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G63 : Summary

Code

G63

One-letter code

X

Molecule name

mannose-alpha-1,3-2-aminodeoxymannojirimycin

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R},3~{R},4~{R},5~{R})-5-azanyl-2-(hydroxymethyl)piperidine-3,4-diol

Formula

C6 H14 N2 O3

Formal charge

0

Molecular weight

162.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH]1CN[CH](CO)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 C1C(C(C(C(N1)CO)O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N

IUPAC InChI

InChI=1S/C6H14N2O3/c7-3-1-8-4(2-9)6(11)5(3)10/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6-/m1/s1

IUPAC InChI key

GFTGLZPGRKFGDU-KVTDHHQDSA-N
G63

wwPDB Information

Atom count

25 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-15

Last modified at

2018-03-16

Status

Released

Obsoleted

Not Assigned