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- ChemComp-BET: TRIMETHYL GLYCINE -

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Basic information

EntryDatabase: PDB chemical components / ID: BET
NameName: trimethyl glycine

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Chemical information

Composition
Formula: C5H12NO2 / Number of atoms: 20 / Formula weight: 118.154 / Formal charge: 1
Others

1rci

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BET / Model coordinates PDB-ID: 1RCI
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / DailyMed / DrugBank / HMDB / Metabolights / Nikkaji / PubChem / SureChEMBL / ZINC / 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(O)C[N+](C)(C)C
CACTVS 3.341C[N+](C)(C)CC(O)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CC(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1

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InChIKey

InChI 1.03KWIUHFFTVRNATP-UHFFFAOYSA-O

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SYSTEMATIC NAME

ACDLabs 10.04carboxy-N,N,N-trimethylmethanaminium
OpenEye OEToolkits 1.5.0carboxymethyl-trimethyl-azanium

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