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- ChemComp-NBE: NITROSOBENZENE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: NBE
NameName: nitrosobenzene

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Chemical information

Composition
Formula: C6H5NO / Number of atoms: 13 / Formula weight: 107.11 / Formal charge: 0
Others

2lh7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NBE / Model coordinates PDB-ID: 2LH7
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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=Nc1ccccc1
CACTVS 3.341O=Nc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)N=O

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SMILES CANONICAL

CACTVS 3.341O=Nc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)N=O

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InChI

InChI 1.03InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H

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InChIKey

InChI 1.03NLRKCXQQSUWLCH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04nitrosobenzene
OpenEye OEToolkits 1.5.0nitrosobenzene

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PDB entries

Showing all 6 items

PDB-1lh7:
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)

PDB-2lh7:
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)

PDB-2nss:
Nitrobenzene Modified Horse Heart Myoglobin

PDB-3hu9:
Nitrosobenzene in complex with T4 lysozyme L99A/M102Q

PDB-8fdj:
Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene

PDB-8fdk:
Phenylhydroxylamine in Reaction with Human Hemoglobin

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