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- ChemComp-2AF: 2-AMINOPHENOL -

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Basic information

EntryDatabase: PDB chemical components / ID: 2AF
NameName: 2-aminophenol

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Chemical information

Composition
Formula: C6H7NO / Number of atoms: 15 / Formula weight: 109.126 / Formal charge: 0
Others

1l4n

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2AF / Model coordinates PDB-ID: 1L4N
History
Create componentMar 19, 2002
Modify descriptorJun 4, 2011
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 10.04Oc1ccccc1N
CACTVS 3.341Nc1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)N)O

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SMILES CANONICAL

CACTVS 3.341Nc1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)N)O

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InChI

InChI 1.03InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2

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InChIKey

InChI 1.03CDAWCLOXVUBKRW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-aminophenol
OpenEye OEToolkits 1.5.02-aminophenol

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PDB entries

Showing all 4 items

PDB-1l4n:
Crystal Structure of CobT complexed with 2-aminophenol

PDB-7jqw:
The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring

PDB-7kbn:
1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site

PDB-8ihg:
Crystal structure of aminophenol dioxygenase from Pseudomonas species AP-3

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