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- ChemComp-PG9: D-PHENYLGLYCINE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: PG9
NameName: D-phenylglycine

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Chemical information

Composition
Formula: C8H9NO2 / Number of atoms: 20 / Formula weight: 151.163 / Formal charge: 0
Others

2b4k

PGY

Type: D-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: G / Three letter code: PG9 / Model coordinates PDB-ID: 2B4K / Replaces: PGY
History
Create componentOct 7, 2005
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / Metabolights / 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 10.04O=C(O)C(N)c1ccccc1
CACTVS 3.341N[CH](C(O)=O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](C(O)=O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1

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InChIKey

InChI 1.03ZGUNAGUHMKGQNY-SSDOTTSWSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-amino(phenyl)ethanoic acid
OpenEye OEToolkits 1.5.0(2R)-2-amino-2-phenyl-ethanoic acid

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PDB entries

Showing all 1 items

PDB-2b4k:
Acetobacter turbidans alpha-amino acid ester hydrolase complexed with phenylglycine

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