Chemical Components in the PDB

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2RA : Summary

Code

2RA

One-letter code

A

Molecule name

3-amino-D-alanine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-amino-D-alanine
OpenEye OEToolkits 1.7.6 (2R)-2,3-bis(azanyl)propanoic acid

Formula

C3 H8 N2 O2

Formal charge

0

Molecular weight

104.108 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)CN
SMILES CACTVS 3.385 NC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(=O)O)N)N
Canonical SMILES CACTVS 3.385 NC[C@@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H](C(=O)O)N)N

IUPAC InChI

InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1

IUPAC InChI key

PECYZEOJVXMISF-UWTATZPHSA-N
2RA

wwPDB Information

Atom count

15 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

D-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2010-09-27

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned