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- ChemComp-OPO: O-NITROPHENOL -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: OPO
NameName: O-nitrophenol

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Chemical information

Composition
Formula: C6H5NO3 / Number of atoms: 15 / Formula weight: 139.109 / Formal charge: 0
Others

4v0z

Type: non-polymer / PDB classification: HETAIN / Three letter code: OPO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4V0Z
History
Create componentSep 19, 2014
Initial releaseSep 30, 2015
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / CompTox / HMDB / PubChem / SureChEMBL / 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 12.01O=[N+]([O-])c1ccccc1O
CACTVS 3.385Oc1ccccc1[N+]([O-])=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)[N+](=O)[O-])O

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SMILES CANONICAL

CACTVS 3.385Oc1ccccc1[N+]([O-])=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)[N+](=O)[O-])O

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InChI

InChI 1.03InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H

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InChIKey

InChI 1.03IQUPABOKLQSFBK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-nitrophenol
OpenEye OEToolkits 1.7.62-nitrophenol

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PDB entries

Showing all 4 items

PDB-2wnb:
Crystal Structure of a Mammalian Sialyltransferase in complex with disaccharide and CMP

PDB-2wnf:
Crystal Structure of a Mammalian Sialyltransferase in complex with Gal-beta-1-3GalNAc-ortho-nitrophenol

PDB-4v0z:
o-nitrophenyl Cellobioside as an Active Site Probe for Family 7 Cellobiohydrolases

PDB-8h41:
Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol

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