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- ChemComp-GEE: ethyl glycinate -

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Basic information

EntryDatabase: PDB chemical components / ID: GEE
NameName: ethyl glycinate

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Chemical information

Composition
Formula: C4H9NO2 / Number of atoms: 16 / Formula weight: 103.12 / Formal charge: 0
Others

3ato

GLY

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: GEE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ATO / Parent comp.: GLY
History
Create componentJan 24, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 12.01O=C(OCC)CN
CACTVS 3.370CCOC(=O)CN
OpenEye OEToolkits 1.7.0CCOC(=O)CN

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SMILES CANONICAL

CACTVS 3.370CCOC(=O)CN
OpenEye OEToolkits 1.7.0CCOC(=O)CN

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InChI

InChI 1.03InChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3

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InChIKey

InChI 1.03NTNZTEQNFHNYBC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01ethyl glycinate
OpenEye OEToolkits 1.7.0ethyl 2-azanylethanoate

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PDB entries

Showing all 4 items

PDB-3ato:
Glycine ethyl ester shielding on the aromatic surfaces of lysozyme: Implication for suppression of protein aggregation

PDB-8odw:
Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii)

PDB-8qba:
Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester

PDB-8qbc:
Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A

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