Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DAL : Summary

Code

DAL

One-letter code

A

Molecule name

D-ALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-alanine
OpenEye OEToolkits 1.5.0 (2R)-2-aminopropanoic acid

Formula

C3 H7 N O2

Formal charge

0

Molecular weight

89.093 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1

IUPAC InChI key

QNAYBMKLOCPYGJ-UWTATZPHSA-N

Is part of

S29 , XIB , J0J , M32
DAL

wwPDB Information

Atom count

13 (6 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned