Chemical Components in the PDB

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LXN : Summary

Code

LXN

One-letter code

X

Molecule name

ALLOXAN

Synonyms

MESOXALYLUREA

Systematic names

ProgramVersionName
ACDLabs 10.04 pyrimidine-2,4,5,6(1H,3H)-tetrone
OpenEye OEToolkits 1.6.1 1,3-diazinane-2,4,5,6-tetrone

Formula

C4 H2 N2 O4

Formal charge

0

Molecular weight

142.07 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C(=O)NC(=O)NC1=O
SMILES CACTVS 3.352 O=C1NC(=O)C(=O)C(=O)N1
SMILES OpenEye OEToolkits 1.6.1 C1(=O)C(=O)NC(=O)NC1=O
Canonical SMILES CACTVS 3.352 O=C1NC(=O)C(=O)C(=O)N1
Canonical SMILES OpenEye OEToolkits 1.6.1 C1(=O)C(=O)NC(=O)NC1=O

IUPAC InChI

InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)

IUPAC InChI key

HIMXGTXNXJYFGB-UHFFFAOYSA-N
LXN

wwPDB Information

Atom count

12 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-06-07

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned