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- ChemComp-LDM: 3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE -

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Basic information

EntryDatabase: PDB chemical components / ID: LDM
NameName: 3-laurylamido-N,N'-dimethylpropylaminoxyde
Synonyms: [3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM

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Chemical information

Composition
Formula: C17H36N2O2 / Number of atoms: 57 / Formula weight: 300.48 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: LDM
History
Create componentJul 21, 2003
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 10.04[O-][N+](C)(CCCNC(=O)CCCCCCCCCCC)C
CACTVS 3.341CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]

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InChI

InChI 1.03InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)

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InChIKey

InChI 1.03JNGWKQJZIUZUPR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-[3-(dimethylnitroryl)propyl]dodecanamide
OpenEye OEToolkits 1.5.03-(dodecanoylamino)-N,N-dimethyl-propan-1-amine oxide

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PDB entries

Showing all 1 items

PDB-1okc:
structure of mitochondrial ADP/ATP carrier in complex with carboxyatractyloside

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