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- ChemComp-3P8: methylammonium ion -

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Basic information

EntryDatabase: PDB chemical components / ID: 3P8
NameName: methylammonium ion / Synonyms: methanaminium

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Chemical information

Composition
Formula: CH6N / Number of atoms: 8 / Formula weight: 32.065 / Formal charge: 1
Others

4r8b
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3P8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4R8B
History
Create componentOct 2, 2014
Initial releaseJul 1, 2015
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / ChEBI / Metabolights / Nikkaji / PubChem / Rhea / 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 12.01[NH3+]C
CACTVS 3.385C[NH3+]
OpenEye OEToolkits 1.7.6C[NH3+]

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SMILES CANONICAL

CACTVS 3.385C[NH3+]
OpenEye OEToolkits 1.7.6C[NH3+]

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InChI

InChI 1.03InChI=1S/CH5N/c1-2/h2H2,1H3/p+1

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InChIKey

InChI 1.03BAVYZALUXZFZLV-UHFFFAOYSA-O

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SYSTEMATIC NAME

ACDLabs 12.01methanaminium
OpenEye OEToolkits 1.7.6methylazanium

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PDB entries

Showing all 2 items

PDB-4ro2:
Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Methylammonium

PDB-8ptf:
The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin.

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