biotin

Ligand id: 4787

Name: biotin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 103.73
Molecular weight 244.09
XLogP 0.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid
International Nonproprietary Names
INN number INN
1203 biotin
Database Links
CAS Registry No. 58-85-5 (source: Scifinder)
ChEBI CHEBI:15956
ChEMBL Ligand CHEMBL857
DrugBank Ligand DB00121
Human Metabolome Database HMDB00030
PubChem CID 171548
RCSB PDB Ligand BTN
Search Google for chemical match using the InChIKey YBJHBAHKTGYVGT-ZKWXMUAHSA-N
Search Google for chemicals with the same backbone YBJHBAHKTGYVGT
Search PubMed clinical trials biotin
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Search PubMed titles/abstracts biotin
Wikipedia Biotin
Comments
Biotin is a water-soluble B-complex vitamin and is an essential co-factor in various metabolic chemical conversions involving biologic carboxylations and the transfer of carbon dioxide. Biotin is critical for cell growth, fatty acid production and fat and amino acid metabolism. Biotin is used as a nutritional supplement, and to correct dietary shortage or imbalance.