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- ChemComp-2AG: (2S)-2-aminopent-4-enoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 2AG
NameName: (2S)-2-aminopent-4-enoic acid / Synonyms: L-allylglycine

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Chemical information

Composition
Formula: C5H9NO2 / Number of atoms: 17 / Formula weight: 115.13 / Formal charge: 0
Others

3cog

ALA

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: A / Three letter code: 2AG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3COG / Parent comp.: ALA
History
Create componentApr 17, 2008
Modify atom idSep 27, 2010
Modify one letter codeApr 28, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
Modify backboneNov 3, 2023
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)C/C=C
CACTVS 3.370N[CH](CC=C)C(O)=O
OpenEye OEToolkits 1.7.2C=CCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370N[C@@H](CC=C)C(O)=O
OpenEye OEToolkits 1.7.2C=CC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1

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InChIKey

InChI 1.03WNNNWFKQCKFSDK-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2-aminopent-4-enoic acid
OpenEye OEToolkits 1.7.2(2S)-2-azanylpent-4-enoic acid

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PDB entries

Showing all 3 items

PDB-3cog:
Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine

PDB-8bis:
Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii in complex with DL-propargylglycine

PDB-8biw:
Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine

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