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TMO : Summary
Code 
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TMO
|
One-letter code 
|
X
|
Molecule name 
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trimethylamine oxide
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Systematic names 
|
|
Formula 
|
C3 H9 N O
|
Formal charge 
|
0
|
Molecular weight 
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75.11 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
[O-][N+](C)(C)C |
SMILES
|
CACTVS |
3.370 |
C[N+](C)(C)[O-] |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
C[N+](C)(C)[O-] |
Canonical SMILES
|
CACTVS |
3.370 |
C[N+](C)(C)[O-] |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C[N+](C)(C)[O-] |
|
IUPAC InChI  | InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 |
IUPAC InChI key  | UYPYRKYUKCHHIB-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
14 (5 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
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Defined at 
|
2008-10-16
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Last modified at 
|
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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|