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- ChemComp-NIY: META-NITRO-TYROSINE -

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Basic information

EntryDatabase: PDB chemical components / ID: NIY
NameName: meta-nitro-tyrosine

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Chemical information

Composition
Formula: C9H10N2O5 / Number of atoms: 26 / Formula weight: 226.186 / Formal charge: 0
Others

TYR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: Y / Three letter code: NIY / Parent comp.: TYR
History
Create componentOct 24, 2001
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 10.04O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(C(=O)O)N)[N+](=O)[O-])O

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O

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InChI

InChI 1.03InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1

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InChIKey

InChI 1.03FBTSQILOGYXGMD-LURJTMIESA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 6 items

PDB-4nda:
Crystal structure of 3-nitro-tyrosine tRNA synthetase (5B) bound to 3-nitro-tyrosine

PDB-5amc:
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta fluorogenic fragment 4-10

PDB-6wrk:
Crystal structure of 3rd-generation Mj 3-nitro-tyrosine tRNA synthetase ("A7") bound to 3-nitro-tyrosine

PDB-6wrn:
Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A variant bound to 3-nitro-tyrosine

PDB-6wrq:
Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) S158C variant bound to 3-nitro-tyrosine

PDB-6wrt:
Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A/S158C variant bound to 3-nitro-tyrosine

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