Chemical Components in the PDB

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ASX : Summary

Code

ASX

One-letter code

B

Molecule name

ASP/ASN AMBIGUOUS

Systematic names

Not Assigned

Formula

C4 H6 N O2 X2

Formal charge

0

Molecular weight

100.096 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 C(C[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]
SMILES OpenEye OEToolkits 1.7.2 *=C(*)CC(C(=O)O)N
Canonical SMILES CACTVS 3.370 C(C[C@H](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]
Canonical SMILES OpenEye OEToolkits 1.7.2 *=C(*)C[C@@H](C(=O)O)N
ASX

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned