Chemical Components in the PDB

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GLL : Summary

Code

GLL

One-letter code

X

Molecule name

GLYCOLURIL

Systematic names

ProgramVersionName
ACDLabs 10.04 cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
OpenEye OEToolkits 1.5.0 1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione

Formula

C4 H6 N4 O2

Formal charge

0

Molecular weight

142.116 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC2NC(=O)NC2N1
SMILES CACTVS 3.341 O=C1N[CH]2NC(=O)N[CH]2N1
SMILES OpenEye OEToolkits 1.5.0 C12C(NC(=O)N1)NC(=O)N2
Canonical SMILES CACTVS 3.341 O=C1N[C@@H]2NC(=O)N[C@@H]2N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C12C(NC(=O)N1)NC(=O)N2

IUPAC InChI

InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+

IUPAC InChI key

VPVSTMAPERLKKM-XIXRPRMCSA-N
GLL

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned