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- ChemComp-ALA: ALANINE -

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Basic information

EntryDatabase: PDB chemical components / ID: ALA
NameName: alanine

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Chemical information

Composition
Formula: C3H7NO2 / Number of atoms: 13 / Formula weight: 89.093 / Formal charge: 0
OthersType: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: A / Three letter code: ALA
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / 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 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-/m0/s1

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InChIKey

InChI 1.03QNAYBMKLOCPYGJ-REOHCLBHSA-N

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SYSTEMATIC NAME

ACDLabs 10.04L-alanine
OpenEye OEToolkits 1.5.0(2S)-2-aminopropanoic acid

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