+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PAU | ||
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Name | Name: Synonyms: N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE Wikipedia | Wikipedia - Pantothenic acid: | Pantothenic acid is a B vitamin and an essential nutrient. All animals need pantothenic acid in order to synthesize coenzyme A (CoA), which is essential for cellular energy production and for the synthesis and degradation of proteins, carbohydrates, and fats. Pantothenic acid is the combination of pantoic acid and β-alanine... |
-Chemical information
Composition | Formula: C9H17NO5 / Number of atoms: 32 / Formula weight: 219.235 / Formal charge: 0 | ||||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / One letter code: A / Three letter code: PAU / Ideal coordinates details: Corina | ||||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.2 | |
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