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Yorodumi- ChemComp-VIB: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-M... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VIB | ||||
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Name | Name: Synonyms: THIAMIN; VITAMIN B1 Wikipedia | Wikipedia - Thiamine: |
Thiamine, also known as thiamin and vitamin B1, is a vitamin, an essential micronutrient for humans and animals. It is found in food and commercially synthesized to be a dietary supplement or medication... Comment | medication*YM | |
-Chemical information
Composition | Formula: C12H17N4OS / Number of atoms: 35 / Formula weight: 265.355 / Formal charge: 1 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VIB / Model coordinates PDB-ID: 1IG3 | ||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / Rhea / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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