Chemical Components in the PDB

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UQK : Summary

Code

UQK

One-letter code

A

Molecule name

N-oxalyl-alpha-methylalanine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(carboxycarbonylamino)-2-methyl-propanoic acid

Formula

C6 H9 N O5

Formal charge

0

Molecular weight

175.139 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)(NC(=O)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)(C(=O)O)NC(=O)C(=O)O
Canonical SMILES CACTVS 3.385 CC(C)(NC(=O)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)(C(=O)O)NC(=O)C(=O)O

IUPAC InChI

InChI=1S/C6H9NO5/c1-6(2,5(11)12)7-3(8)4(9)10/h1-2H3,(H,7,8)(H,9,10)(H,11,12)

IUPAC InChI key

ISTWWSBLMQHYIQ-UHFFFAOYSA-N
UQK

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

Yes

Standard parent

ALA

Defined at

2021-03-09

Last modified at

2021-03-12

Status

Released

Obsoleted

Not Assigned