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DME : Summary
Code
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DME
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One-letter code
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X
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Molecule name
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DECAMETHONIUM ION
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Systematic names
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Formula
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C16 H38 N2
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Formal charge
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2
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Molecular weight
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258.486 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
C(CCCC[N+](C)(C)C)CCCCC[N+](C)(C)C |
SMILES
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CACTVS |
3.341 |
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C |
Canonical SMILES
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CACTVS |
3.341 |
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C |
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IUPAC InChI | InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2 |
IUPAC InChI key | MTCUAOILFDZKCO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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56 (18 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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HETAI
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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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