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- ChemComp-DBY: 3,5 DIBROMOTYROSINE -

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Basic information

EntryDatabase: PDB chemical components / ID: DBY
NameName: 3,5 dibromotyrosine

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Chemical information

Composition
Formula: C9H9Br2NO3 / Number of atoms: 24 / Formula weight: 338.981 / Formal charge: 0
Others

1eba

TYR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: Y / Three letter code: DBY / Model coordinates PDB-ID: 1EBA / Parent comp.: TYR
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / 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 10.04Brc1cc(cc(Br)c1O)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1cc(Br)c(O)c(Br)c1)C(O)=O
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Br)O)Br)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(O)=O
OpenEye OEToolkits 1.5.0c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1

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InChIKey

InChI 1.03COESHZUDRKCEPA-ZETCQYMHSA-N

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SYSTEMATIC NAME

ACDLabs 10.043,5-dibromo-L-tyrosine
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)propanoic acid

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PDB entries

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PDB-4tph:
Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2

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