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- ChemComp-02A: (2S)-azetidine-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 02A
NameName: (2S)-azetidine-2-carboxylic acid

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Chemical information

Composition
Formula: C4H7NO2 / Number of atoms: 14 / Formula weight: 101.104 / Formal charge: 0
Others

1xm1

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: 02A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1XM1
History
Create componentFeb 25, 2011
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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)C1NCC1
CACTVS 3.370OC(=O)[CH]1CCN1
OpenEye OEToolkits 1.7.0C1CNC1C(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)[C@@H]1CCN1
OpenEye OEToolkits 1.7.0C1CN[C@@H]1C(=O)O

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InChI

InChI 1.03InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1

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InChIKey

InChI 1.03IADUEWIQBXOCDZ-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-azetidine-2-carboxylic acid
OpenEye OEToolkits 1.7.0(2S)-azetidine-2-carboxylic acid

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PDB entries

Showing all 6 items

PDB-5s76:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a

PDB-7f9p:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and azetidine

PDB-7v9d:
Plasmodium falciparum Prolyl-tRNA Synthetase (PfPRS) in Complex with inhibitor L95 and azetidine

PDB-8rye:
AzeJ in complex with MTA and AZE from Pseudomonas aeruginosa (P2(1)2(1)2)

PDB-8ryf:
AzeJ in complex with MTA and AZE from Pseudomonas aeruginosa (P4(2)22)

PDB-8ywo:
Crystal structure of L-azetidine-2-carboxylate hydrolase soaked in (S)-azetidine-2-carboxylic acid

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