Chemical Components in the PDB

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NXA : Summary

Code

NXA

One-letter code

X

Molecule name

N-CARBOXYALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-carboxy-L-alanine
OpenEye OEToolkits 1.5.0 (2S)-2-(carboxyamino)propanoic acid

Formula

C4 H7 N O4

Formal charge

0

Molecular weight

133.103 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(NC(=O)O)C
SMILES CACTVS 3.341 C[CH](NC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C(=O)O)NC(=O)O
Canonical SMILES CACTVS 3.341 C[C@H](NC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H](C(=O)O)NC(=O)O

IUPAC InChI

InChI=1S/C4H7NO4/c1-2(3(6)7)5-4(8)9/h2,5H,1H3,(H,6,7)(H,8,9)/t2-/m0/s1

IUPAC InChI key

JCVPWRQVQNVNGU-REOHCLBHSA-N
NXA

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-11-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned