Chemical Components in the PDB

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TRS : Summary

Code

TRS

One-letter code

X

Molecule name

2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL

Synonyms

TRIS BUFFER

Systematic names

ProgramVersionName
ACDLabs 10.04 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium
OpenEye OEToolkits 1.5.0 [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium

Formula

C4 H12 N O3

Formal charge

1

Molecular weight

122.143 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCC([NH3+])(CO)CO
SMILES CACTVS 3.341 [NH3+]C(CO)(CO)CO
SMILES OpenEye OEToolkits 1.5.0 C(C(CO)(CO)[NH3+])O
Canonical SMILES CACTVS 3.341 [NH3+]C(CO)(CO)CO
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(CO)(CO)[NH3+])O

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
TRS

wwPDB Information

Atom count

20 (8 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

2020-06-17

Status

Released

Obsoleted

Not Assigned