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- ChemComp-CCE: 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM -

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Basic information

EntryDatabase: PDB chemical components / ID: CCE
NameName: 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium / Synonyms: CARBAMYL-CHOLINE

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Chemical information

Composition
Formula: C6H15N2O2 / Number of atoms: 25 / Formula weight: 147.195 / Formal charge: 1
Others

1uv6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CCE / Model coordinates PDB-ID: 1UV6
History
Create componentJan 15, 2004
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04O=C(OCC[N+](C)(C)C)N
CACTVS 3.341C[N+](C)(C)CCOC(N)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCOC(=O)N

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SMILES CANONICAL

CACTVS 3.341C[N+](C)(C)CCOC(N)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCOC(=O)N

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InChI

InChI 1.03InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1

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InChIKey

InChI 1.03VPJXQGSRWJZDOB-UHFFFAOYSA-O

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SYSTEMATIC NAME

ACDLabs 10.042-(carbamoyloxy)-N,N,N-trimethylethanaminium
OpenEye OEToolkits 1.5.02-aminocarbonyloxyethyl-trimethyl-azanium

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PDB entries

Showing all 4 items

PDB-1uv6:
X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine

PDB-7ql6:
Torpedo muscle-type nicotinic acetylcholine receptor - carbamylcholine-bound conformation

PDB-7smr:
Cryo-EM structure of Torpedo acetylcholine receptor in complex with carbachol, desensitized state

PDB-7smt:
Cryo-EM structure of Torpedo acetylcholine receptor in complex with d-tubocurarine and carbachol

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