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- ChemComp-NM2: 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM -

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Basic information

EntryDatabase: PDB chemical components / ID: NM2
NameName: 3-carboxy-N,N,N-trimethylpropan-1-aminium

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Chemical information

Composition
Formula: C7H16NO2 / Number of atoms: 26 / Formula weight: 146.207 / Formal charge: 1
Others

2wsx

Type: non-polymer / PDB classification: HETAIN / Three letter code: NM2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WSX
History
Create componentSep 10, 2009
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 10.04O=C(O)CCC[N+](C)(C)C
CACTVS 3.352C[N+](C)(C)CCCC(O)=O
OpenEye OEToolkits 1.6.1C[N+](C)(C)CCCC(=O)O

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SMILES CANONICAL

CACTVS 3.352C[N+](C)(C)CCCC(O)=O
OpenEye OEToolkits 1.6.1C[N+](C)(C)CCCC(=O)O

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InChI

InChI 1.03InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1

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InChIKey

InChI 1.03JHPNVNIEXXLNTR-UHFFFAOYSA-O

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SYSTEMATIC NAME

ACDLabs 10.043-carboxy-N,N,N-trimethylpropan-1-aminium
OpenEye OEToolkits 1.6.1(4-hydroxy-4-oxo-butyl)-trimethyl-azanium

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PDB entries

Showing all 5 items

PDB-2wsx:
Crystal Structure of Carnitine Transporter from Escherichia coli

PDB-3o2g:
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)

PDB-4m8j:
Crystal structure of CaiT R262E bound to gamma-butyrobetaine

PDB-6y8s:
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate gamma-butyrobetaine

PDB-8oz8:
Crystal Structure of an Hydroxynitrile lyase variant (H96A) from Granulicella tundricola

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