Chemical Components in the PDB

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LUZ : Summary

Code

LUZ

One-letter code

X

Molecule name

pteridine-2,4(1H,3H)-dione

Synonyms

Lumazine, 2,4-dihydroxypteridine, 2,4-pteridinediol

Systematic names

ProgramVersionName
ACDLabs 10.04 pteridine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.0 1H-pteridine-2,4-dione

Formula

C6 H4 N4 O2

Formal charge

0

Molecular weight

164.122 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c1nccnc1NC(=O)N2
SMILES CACTVS 3.341 O=C1NC(=O)c2nccnc2N1
SMILES OpenEye OEToolkits 1.5.0 c1cnc2c(n1)C(=O)NC(=O)N2
Canonical SMILES CACTVS 3.341 O=C1NC(=O)c2nccnc2N1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cnc2c(n1)C(=O)NC(=O)N2

IUPAC InChI

InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)

IUPAC InChI key

UYEUUXMDVNYCAM-UHFFFAOYSA-N
LUZ

wwPDB Information

Atom count

16 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-10-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned