Chemical Components in the PDB

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GLD : Summary

Code

GLD

One-letter code

X

Molecule name

4,6-dideoxy-alpha-D-xylo-hexopyranose

Systematic names

ProgramVersionName
ACDLabs 10.04 4,6-dideoxy-alpha-D-xylo-hexopyranose
OpenEye OEToolkits 1.5.0 (2S,3R,4S,6R)-6-methyloxane-2,3,4-triol

Formula

C6 H12 O4

Formal charge

0

Molecular weight

148.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1CC(OC(O)C1O)C
SMILES CACTVS 3.341 C[CH]1C[CH](O)[CH](O)[CH](O)O1
SMILES OpenEye OEToolkits 1.5.0 CC1CC(C(C(O1)O)O)O
Canonical SMILES CACTVS 3.341 C[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O)O1
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O

IUPAC InChI

InChI=1S/C6H12O4/c1-3-2-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1

IUPAC InChI key

BJBURJZEESAQPG-MOJAZDJTSA-N
GLD

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned