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BET : Summary
Code
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BET
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One-letter code
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X
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Molecule name
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TRIMETHYL GLYCINE
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Systematic names
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Formula
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C5 H12 N O2
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Formal charge
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1
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Molecular weight
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118.154 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C[N+](C)(C)C |
SMILES
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CACTVS |
3.341 |
C[N+](C)(C)CC(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C[N+](C)(C)CC(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
C[N+](C)(C)CC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[N+](C)(C)CC(=O)O |
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IUPAC InChI | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1 |
IUPAC InChI key | KWIUHFFTVRNATP-UHFFFAOYSA-O |
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wwPDB Information |
Atom count
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20 (8 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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2023-11-03
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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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