Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GDL : Summary

Code

GDL

One-letter code

X

Molecule name

2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)
OpenEye OEToolkits 1.5.0 N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxo-oxan-3-yl]ethanamide

Formula

C8 H13 N O6

Formal charge

0

Molecular weight

219.192 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1OC(CO)C(O)C(O)C1NC(=O)C
SMILES CACTVS 3.341 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC1C(C(C(OC1=O)CO)O)O
Canonical SMILES CACTVS 3.341 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O

IUPAC InChI

InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1

IUPAC InChI key

NELQYZRSPDCGRQ-DBRKOABJSA-N
GDL

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2002-10-29

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned