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- ChemComp-PHA: PHENYLALANINAL -

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Basic information

EntryDatabase: PDB chemical components / ID: PHA
NameName: phenylalaninal

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Chemical information

Composition
Formula: C9H11NO / Number of atoms: 22 / Formula weight: 149.19 / Formal charge: 0
Others

3sga

PHE

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: F / Three letter code: PHA / Model coordinates PDB-ID: 3SGA / Parent comp.: PHE
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Nikkaji / PubChem / 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=CC(N)Cc1ccccc1
CACTVS 3.341N[CH](Cc1ccccc1)C=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C=O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1ccccc1)C=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C=O)N

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InChI

InChI 1.03InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m0/s1

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InChIKey

InChI 1.03CQIUZHAQYHXKRY-VIFPVBQESA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-amino-3-phenylpropanal
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-phenyl-propanal

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PDB entries

Showing all 4 items

PDB-1kqs:
The Haloarcula marismortui 50S Complexed with a Pretranslocational Intermediate in Protein Synthesis

PDB-1m90:
Co-crystal structure of CCA-Phe-caproic acid-biotin and sparsomycin bound to the 50S ribosomal subunit

PDB-1q86:
Crystal structure of CCA-Phe-cap-biotin bound simultaneously at half occupancy to both the A-site and P-site of the the 50S ribosomal Subunit.

PDB-4v68:
T. thermophilus 70S ribosome in complex with mRNA, tRNAs and EF-Tu.GDP.kirromycin ternary complex, fitted to a 6.4 A Cryo-EM map.

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