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- ChemComp-C5J: dicarbonimidic diamide -

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Basic information

EntryDatabase: PDB chemical components / ID: C5J
NameName: dicarbonimidic diamide

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Chemical information

Composition
Formula: C2H5N3O2 / Number of atoms: 12 / Formula weight: 103.08 / Formal charge: 0
Others

6azq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C5J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6AZQ
History
Create componentSep 13, 2017
Initial releaseFeb 21, 2018
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01C(NC(N)=O)(=O)N
CACTVS 3.385NC(=O)NC(N)=O
OpenEye OEToolkits 2.0.6C(=O)(N)NC(=O)N

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SMILES CANONICAL

CACTVS 3.385NC(=O)NC(N)=O
OpenEye OEToolkits 2.0.6C(=O)(N)NC(=O)N

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InChI

InChI 1.03InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)

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InChIKey

InChI 1.03OHJMTUPIZMNBFR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01dicarbonimidic diamide
OpenEye OEToolkits 2.0.61-aminocarbonylurea

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PDB entries

Showing all 4 items

PDB-6azq:
Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841

PDB-6xj4:
Triuret Hydrolase (TrtA) from Herbaspirillum sp. BH-1 C162S bound with biuret

PDB-6xjm:
Biuret Hydrolase (BiuH) from Rhodococcus sp. Mel C169S bound with biuret

PDB-8ryi:
Metformin hydrolase from Aminobacter niigataensis MD1 with urea in the active site

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