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- ChemComp-LPG: (2S)-2-aminobut-3-ynoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: LPG
NameName: (2S)-2-aminobut-3-ynoic acid / Synonyms: 2-AMINO-BUT-3-YNOIC ACID; 2-amino-3-butynoic acid

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Chemical information

Composition
Formula: C4H5NO2 / Number of atoms: 12 / Formula weight: 99.088 / Formal charge: 0
Others

GLY

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: G / Three letter code: LPG / Ideal coordinates details: Corina / Parent comp.: GLY
History
Create componentFeb 13, 2001
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
Modify nameFeb 22, 2022
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 12.01C#CC(N)C(=O)O
CACTVS 3.385N[CH](C#C)C(O)=O
OpenEye OEToolkits 2.0.7C#CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H](C#C)C(O)=O
OpenEye OEToolkits 2.0.7C#C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1

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InChIKey

InChI 1.03DSUAJFIEKRKPEE-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2-aminobut-3-ynoic acid
OpenEye OEToolkits 2.0.7(2~{S})-2-azanylbut-3-ynoic acid

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PDB entries

Showing all 1 items

PDB-1i29:
CRYSTAL STRUCTURE OF CSDB COMPLEXED WITH L-PROPARGYLGLYCINE

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