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- ChemComp-OBZ: O-benzylhydroxylamine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: OBZ
NameName: O-benzylhydroxylamine

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Chemical information

Composition
Formula: C7H9NO / Number of atoms: 18 / Formula weight: 123.152 / Formal charge: 0
Others

3dtg

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OBZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3DTG
History
Create componentJul 23, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / 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

ACDLabs 10.04[(aminooxy)methyl]benzene
CACTVS 3.341NOCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CON

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SMILES CANONICAL

CACTVS 3.341NOCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CON

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InChI

InChI 1.03InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2

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InChIKey

InChI 1.03XYEOALKITRFCJJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04O-benzylhydroxylamine
OpenEye OEToolkits 1.5.0O-(phenylmethyl)hydroxylamine

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PDB entries

Showing all 3 items

PDB-3dtg:
Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design

PDB-7zea:
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine

PDB-9u7n:
Tetrameric cystathionine beta-synthase of Mycobacterium tuberculosis bound to O-Benzylhydroxylamine

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