Chemical Components in the PDB

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BTB : Summary

Code

BTB

One-letter code

X

Molecule name

2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL

Synonyms

BIS-TRIS BUFFER

Systematic names

ProgramVersionName
ACDLabs 10.04 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
OpenEye OEToolkits 1.5.0 2-(bis(2-hydroxyethyl)amino)-2-(hydroxymethyl)propane-1,3-diol

Formula

C8 H19 N O5

Formal charge

0

Molecular weight

209.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCN(C(CO)(CO)CO)CCO
SMILES CACTVS 3.341 OCCN(CCO)C(CO)(CO)CO
SMILES OpenEye OEToolkits 1.5.0 C(CO)N(CCO)C(CO)(CO)CO
Canonical SMILES CACTVS 3.341 OCCN(CCO)C(CO)(CO)CO
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CO)N(CCO)C(CO)(CO)CO

IUPAC InChI

InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

IUPAC InChI key

OWMVSZAMULFTJU-UHFFFAOYSA-N
BTB

wwPDB Information

Atom count

33 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned