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- ChemComp-AA3: 2-AMINOBUTYRIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: AA3
Status

DBB

Status: Obsoleted / Replaced by: DBB
NameName: 2-aminobutyric acid

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Chemical information

Composition
Formula: C4H9NO2 / Number of atoms: 16 / Formula weight: 103.12 / Formal charge: 0
Others

1qr3

ALA

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: A / Three letter code: AA3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1QR3 / Parent comp.: ALA
History
Create componentAug 9, 1999
Other modificationFeb 19, 2015
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(O)C(N)CC
CACTVS 3.385CC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6CCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385CC[C@@H](N)C(O)=O
OpenEye OEToolkits 1.7.6CCC(C(=O)O)N

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InChI

InChI 1.03InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1

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InChIKey

InChI 1.03QWCKQJZIFLGMSD-GSVOUGTGSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-aminobutanoic acid
OpenEye OEToolkits 1.7.62-azanylbutanoic acid

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PDB entries

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