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- ChemComp-TZE: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL -

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Basic information

EntryDatabase: PDB chemical components / ID: TZE
NameName: 2-(4-methyl-thiazol-5-yl)-ethanol / Synonyms: 4-METHYL-5-HYDROXYETHYLTHIAZOLE

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Chemical information

Composition
Formula: C6H9NOS / Number of atoms: 18 / Formula weight: 143.207 / Formal charge: 0
Others

1ekk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TZE / Model coordinates PDB-ID: 1EKK
History
Create componentJul 30, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / 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 10.04OCCc1scnc1C
CACTVS 3.341Cc1ncsc1CCO
OpenEye OEToolkits 1.5.0Cc1c(scn1)CCO

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SMILES CANONICAL

CACTVS 3.341Cc1ncsc1CCO
OpenEye OEToolkits 1.5.0Cc1c(scn1)CCO

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InChI

InChI 1.03InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3

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InChIKey

InChI 1.03BKAWJIRCKVUVED-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-(4-methyl-1,3-thiazol-5-yl)ethanol
OpenEye OEToolkits 1.5.02-(4-methyl-1,3-thiazol-5-yl)ethanol

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PDB entries

Showing all 5 items

PDB-1c3q:
CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM

PDB-1ekk:
CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN THE R3 FORM WITH HYDROXYETHYLTHIAZOLE

PDB-3nl5:
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes

PDB-5coj:
Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with native substrate 2-(4-methyl-1,3-thiazol-5-yl)ethanol.

PDB-6k28:
Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE

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