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- ChemComp-FP1: N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: FP1
NameName: N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine

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Chemical information

Composition
Formula: C7H10N2O / Number of atoms: 20 / Formula weight: 138.167 / Formal charge: 0
Others

2vb4
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: FP1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VB4
History
Create componentSep 6, 2007
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 10.04ON\C=C1\C=CC=CN1C
CACTVS 3.341CN1C=CC=CC1=CNO
OpenEye OEToolkits 1.5.0CN1C=CC=CC1=CNO

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SMILES CANONICAL

CACTVS 3.341CN1C=CC=C/C1=C/NO
OpenEye OEToolkits 1.5.0CN\1C=CC=C/C1=C/NO

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InChI

InChI 1.03InChI=1S/C7H10N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6,8,10H,1H3/b7-6-

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InChIKey

InChI 1.03YDWKOUCMHAMECR-SREVYHEPSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine
OpenEye OEToolkits 1.5.0N-[(Z)-(1-methylpyridin-2-ylidene)methyl]hydroxylamine

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PDB entries

Showing all 4 items

PDB-2vq6:
Torpedo californica acetylcholinesterase complexed with 2-PAM

PDB-2wg1:
TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM

PDB-4axb:
Crystal structure of soman-aged human butyrylcholinesterase in complex with 2-PAM

PDB-5hfa:
Crystal structure of human acetylcholinesterase in complex with paraoxon and 2-PAM

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