Chemical Components in the PDB

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2AL : Summary

Code

2AL

One-letter code

X

Molecule name

1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA

Synonyms

ALLANTOIN

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea
OpenEye OEToolkits 1.5.0 (2,5-dioxoimidazol-4-yl)urea

Formula

C4 H4 N4 O3

Formal charge

0

Molecular weight

156.1 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C(=NC(=O)N1)NC(=O)N
SMILES CACTVS 3.341 NC(=O)NC1=NC(=O)NC1=O
SMILES OpenEye OEToolkits 1.5.0 C1(=O)C(=NC(=O)N1)NC(=O)N
Canonical SMILES CACTVS 3.341 NC(=O)NC1=NC(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1(=O)C(=NC(=O)N1)NC(=O)N

IUPAC InChI

InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11)

IUPAC InChI key

MFAONEQLPARJAO-UHFFFAOYSA-N
2AL

wwPDB Information

Atom count

15 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-02-07

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned