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- ChemComp-UGY: (2S)-amino(carbamoylamino)ethanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: UGY
NameName: (2S)-amino(carbamoylamino)ethanoic acid / Synonyms: (S)-2-ureidoglycine

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Chemical information

Composition
Formula: C3H7N3O3 / Number of atoms: 16 / Formula weight: 133.106 / Formal charge: 0
Others

4e2s

GLY

Type: PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: UGY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4E2S / Parent comp.: GLY
History
Create componentMar 20, 2012
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / KEGG_Ligand / NMRShiftDB / PubChem / Rhea / 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 12.01O=C(N)NC(N)C(=O)O
CACTVS 3.370N[CH](NC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(=O)O)(N)NC(=O)N

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SMILES CANONICAL

CACTVS 3.370N[C@@H](NC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.6[C@H](C(=O)O)(N)NC(=O)N

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InChI

InChI 1.03InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1

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InChIKey

InChI 1.03VTFWFHCECSOPSX-SFOWXEAESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-amino(carbamoylamino)ethanoic acid
OpenEye OEToolkits 1.7.6(2S)-2-(aminocarbonylamino)-2-azanyl-ethanoic acid

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PDB entries

Showing all 1 items

PDB-4e2s:
Crystal structure of (S)-Ureidoglycine Aminohydrolase from Arabidopsis thaliana in complex with its substrate, (S)-Ureidoglycine

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