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- ChemComp-LPH: L-Propargylglycine -

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Basic information

EntryDatabase: PDB chemical components / ID: LPH
NameName: L-Propargylglycine / Synonyms: (2S)-2-aminopent-4-ynoic acid

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Chemical information

Composition
Formula: C5H7NO2 / Number of atoms: 15 / Formula weight: 113.115 / Formal charge: 0
Others

4wj5

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: LPH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4WJ5
History
Create componentOct 3, 2014
Initial releaseOct 29, 2014
Modify synonymsMar 1, 2021
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / 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 12.01O=C(O)C(N)CC#C
CACTVS 3.385N[CH](CC#C)C(O)=O
OpenEye OEToolkits 1.9.2C#CCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H](CC#C)C(O)=O
OpenEye OEToolkits 1.9.2C#CC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1

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InChIKey

InChI 1.03DGYHPLMPMRKMPD-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2-aminopent-4-ynoic acid
OpenEye OEToolkits 1.9.2(2S)-2-azanylpent-4-ynoic acid

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PDB entries

Showing all 1 items

PDB-8tvt:
Structure of human Cysteine desulfurase Nfs1 with L-propargylglycine bound to active site PLP in complex with ISD11, Acp1 and ISCU2

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