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BTB : Summary
Code ![](/pdbe/static/images/help.png)
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BTB
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
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Synonyms ![](/pdbe/static/images/help.png)
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BIS-TRIS BUFFER
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C8 H19 N O5
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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209.24 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OCCN(C(CO)(CO)CO)CCO |
SMILES
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CACTVS |
3.341 |
OCCN(CCO)C(CO)(CO)CO |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CO)N(CCO)C(CO)(CO)CO |
Canonical SMILES
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CACTVS |
3.341 |
OCCN(CCO)C(CO)(CO)CO |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CO)N(CCO)C(CO)(CO)CO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | OWMVSZAMULFTJU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (14 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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