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TRS : Summary
Code 
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TRS
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One-letter code 
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X
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Molecule name 
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2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
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Synonyms 
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TRIS BUFFER
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Systematic names 
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Formula 
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C4 H12 N O3
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Formal charge 
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1
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Molecular weight 
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122.143 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OCC([NH3+])(CO)CO |
SMILES
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CACTVS |
3.341 |
[NH3+]C(CO)(CO)CO |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(CO)(CO)[NH3+])O |
Canonical SMILES
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CACTVS |
3.341 |
[NH3+]C(CO)(CO)CO |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(CO)(CO)[NH3+])O |
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IUPAC InChI  | InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1 |
IUPAC InChI key  | LENZDBCJOHFCAS-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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2020-06-17
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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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