Chemical Components in the PDB

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GE1 : Summary

Code

GE1

One-letter code

X

Molecule name

2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose

Synonyms

3,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSE
2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexose
2,6-diamino-2,3,4,6-tetradeoxy-D-erythro-hexose
2,6-diamino-2,3,4,6-tetradeoxy-erythro-hexose

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose
OpenEye OEToolkits 1.5.0 (2S,3R,6S)-3-amino-6-(aminomethyl)oxan-2-ol

Formula

C6 H14 N2 O2

Formal charge

0

Molecular weight

146.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1OC(CN)CCC1N
SMILES CACTVS 3.341 NC[CH]1CC[CH](N)[CH](O)O1
SMILES OpenEye OEToolkits 1.5.0 C1CC(C(OC1CN)O)N
Canonical SMILES CACTVS 3.341 NC[C@@H]1CC[C@@H](N)[C@@H](O)O1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1C[C@H]([C@H](O[C@@H]1CN)O)N

IUPAC InChI

InChI=1S/C6H14N2O2/c7-3-4-1-2-5(8)6(9)10-4/h4-6,9H,1-3,7-8H2/t4-,5+,6-/m0/s1

IUPAC InChI key

FGFITZOBEYBNGG-JKUQZMGJSA-N
GE1

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-08-04

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned