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- ChemComp-T2C: (2S)-1,3-thiazolidine-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: T2C
NameName: (2S)-1,3-thiazolidine-2-carboxylic acid

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Chemical information

Composition
Formula: C4H7NO2S / Number of atoms: 15 / Formula weight: 133.169 / Formal charge: 0
Others

6ufp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: T2C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6UFP
History
Create componentSep 25, 2019
Initial releaseMar 18, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / 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 12.01C1(C(O)=O)NCCS1
CACTVS 3.385OC(=O)[CH]1NCCS1
OpenEye OEToolkits 2.0.7C1CSC(N1)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@H]1NCCS1
OpenEye OEToolkits 2.0.7C1CS[C@H](N1)C(=O)O

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InChI

InChI 1.03InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1

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InChIKey

InChI 1.03ULSZVNJBVJWEJE-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-1,3-thiazolidine-2-carboxylic acid
OpenEye OEToolkits 2.0.7(2~{S})-1,3-thiazolidine-2-carboxylic acid

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PDB entries

Showing all 3 items

PDB-6ufp:
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate and three cysteines (Cys46, Cys470, Cys638) modified to S,S-(2-HYDROXYETHYL)THIOCYSTEINE

PDB-6vz9:
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate

PDB-6xp1:
Structure of human PYCR1 complexed with L-thiazolidine-2-carboxylate

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