Chemical Components in the PDB

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TAU : Summary

Code

TAU

One-letter code

X

Molecule name

2-AMINOETHANESULFONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-aminoethanesulfonic acid
OpenEye OEToolkits 1.5.0 2-aminoethanesulfonic acid

Formula

C2 H7 N O3 S

Formal charge

0

Molecular weight

125.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(O)CCN
SMILES CACTVS 3.341 NCC[S](O)(=O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CS(=O)(=O)O)N
Canonical SMILES CACTVS 3.341 NCC[S](O)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CS(=O)(=O)O)N

IUPAC InChI

InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

IUPAC InChI key

XOAAWQZATWQOTB-UHFFFAOYSA-N
TAU

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-12-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned