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LDA : Summary
Code
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LDA
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One-letter code
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X
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Molecule name
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LAURYL DIMETHYLAMINE-N-OXIDE
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Systematic names
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Formula
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C14 H31 N O
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Formal charge
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0
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Molecular weight
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229.402 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
[O-][N+](CCCCCCCCCCCC)(C)C |
SMILES
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CACTVS |
3.341 |
CCCCCCCCCCCC[N+](C)(C)[O-] |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCC[N+](C)(C)[O-] |
Canonical SMILES
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CACTVS |
3.341 |
CCCCCCCCCCCC[N+](C)(C)[O-] |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCC[N+](C)(C)[O-] |
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IUPAC InChI | InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3 |
IUPAC InChI key | SYELZBGXAIXKHU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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47 (16 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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