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CHT : Summary
Code 
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CHT
|
One-letter code 
|
X
|
Molecule name 
|
CHOLINE ION
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Systematic names 
|
|
Formula 
|
C5 H14 N O
|
Formal charge 
|
1
|
Molecular weight 
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104.171 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
OCC[N+](C)(C)C |
SMILES
|
CACTVS |
3.341 |
C[N+](C)(C)CCO |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[N+](C)(C)CCO |
Canonical SMILES
|
CACTVS |
3.341 |
C[N+](C)(C)CCO |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[N+](C)(C)CCO |
|
IUPAC InChI  | InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 |
IUPAC InChI key  | OEYIOHPDSNJKLS-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
21 (7 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 
|
2001-02-07
|
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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|