+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CHT | ||
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Name | Name: Wikipedia | Wikipedia - Choline: Choline ( KOH-leen) is an essential nutrient for humans and many other animals, which was formerly classified as a B vitamin .
It is a structural part of phospholipids and a methyl donor in metabolic one-carbon chemistry. The compound is related to trimethylglycine in the latter respect... | |
-Chemical information
Composition | Formula: C5H14NO / Number of atoms: 21 / Formula weight: 104.171 / Formal charge: 1 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CHT / Model coordinates PDB-ID: 1H8G | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / 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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