Chemical Components in the PDB

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LUQ : Summary

Code

LUQ

One-letter code

X

Molecule name

N-(2-acetamido)-2-aminoethanesulfonic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-[(2-azanyl-2-oxidanylidene-ethyl)amino]ethanesulfonic acid

Formula

C4 H10 N2 O4 S

Formal charge

0

Molecular weight

182.198 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)CNCC[S](O)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 C(CS(=O)(=O)O)NCC(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)CNCC[S](O)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CS(=O)(=O)O)NCC(=O)N

IUPAC InChI

InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)

IUPAC InChI key

DBXNUXBLKRLWFA-UHFFFAOYSA-N
LUQ

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-09

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned