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- ChemComp-LHY: L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE -

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Basic information

EntryDatabase: PDB chemical components / ID: LHY
NameName: L-[(N-hydroxyamino)carbonyl]phenylalanine

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Chemical information

Composition
Formula: C10H12N2O4 / Number of atoms: 28 / Formula weight: 224.213 / Formal charge: 0
Others

1hee

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LHY / Model coordinates PDB-ID: 1HEE
History
Create componentNov 22, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / DrugBank / PubChem / 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(NC(=O)NO)Cc1ccccc1
CACTVS 3.341ONC(=O)N[CH](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)NC(=O)NO

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SMILES CANONICAL

CACTVS 3.341ONC(=O)N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO

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InChI

InChI 1.03InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1

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InChIKey

InChI 1.03IOFPEOPOAMOMBE-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-(hydroxycarbamoyl)-L-phenylalanine
OpenEye OEToolkits 1.5.0(2S)-2-(hydroxycarbamoylamino)-3-phenyl-propanoic acid

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PDB entries

Showing all 6 items

PDB-1hee:
Crystal structure of bovine pancreatic carboxypeptidase A complexed with L-N-hydroxyaminocarbonyl phenylalanine at 2.3 A

PDB-6il2:
K4U complex structure of peptide deformylase from Xanthomonas oryzae pv. oryzae

PDB-6jex:
K4U bound crystal peptide deformylase from Acinetobacter baumanii

PDB-6jf8:
K4U bound crystal structure of class I type b peptide deformylase from Acinetobacter baumannii

PDB-6jfn:
K4U bound crystal structure of class I type b peptide deformylase from Pseudomonas aeruginosa

PDB-6jfs:
K4U bound crystal structure of class II peptide deformylase from methicillin resistant Staphylococcus aureus

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