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- ChemComp-7N8: 4-Borono-L-phenylalanine -

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Basic information

EntryDatabase: PDB chemical components / ID: 7N8
NameName: 4-Borono-L-phenylalanine

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Chemical information

Composition
Formula: C9H12BNO4 / Number of atoms: 27 / Formula weight: 209.007 / Formal charge: 0
Others

5mhh

PHE

Type: L-peptide linking / PDB classification: ATOMP / One letter code: F / Three letter code: 7N8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MHH / Parent comp.: PHE
History
Create componentNov 24, 2016
Initial releaseOct 11, 2017
Other modificationApr 15, 2019
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / 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

CACTVS 3.385N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
OpenEye OEToolkits 2.0.6B(c1ccc(cc1)CC(C(=O)O)N)(O)O

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SMILES CANONICAL

CACTVS 3.385N[C@@H](Cc1ccc(cc1)B(O)O)C(O)=O
OpenEye OEToolkits 2.0.6B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O

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InChI

InChI 1.03InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1

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InChIKey

InChI 1.03NFIVJOSXJDORSP-QMMMGPOBSA-N

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PDB entries

Showing all 1 items

PDB-5n5u:
Structure of p-boronophenylalanyl tRNA synthetase in complex with p-boronophenylalanine and adenosine monophosphate

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