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- ChemComp-DAL: D-ALANINE -

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Basic information

EntryDatabase: PDB chemical components / ID: DAL
NameName: D-alanine

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Chemical information

Composition
Formula: C3H7NO2 / Number of atoms: 13 / Formula weight: 89.093 / Formal charge: 0
OthersType: D-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: A / Three letter code: DAL
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341C[C@@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1

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InChIKey

InChI 1.03QNAYBMKLOCPYGJ-UWTATZPHSA-N

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SYSTEMATIC NAME

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

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