Chemical Components in the PDB

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GLG : Summary

Code

GLG

One-letter code

X

Molecule name

ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name)
OpenEye OEToolkits 1.5.0 (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide

Formula

C7 H13 N O6

Formal charge

0

Molecular weight

207.181 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)C1OC(CO)C(O)C(O)C1O
SMILES CACTVS 3.341 NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)C(=O)N)O)O)O)O
Canonical SMILES CACTVS 3.341 NC(=O)[C@H]1O[C@H](CO)[C@@H](O)[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)C(=O)N)O)O)O)O

IUPAC InChI

InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/m1/s1

IUPAC InChI key

UKWLGCFJAVEFPE-DVKNGEFBSA-N
GLG

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned