pantothenic acid

Ligand id: 4668

Name: pantothenic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 106.86
Molecular weight 219.11
XLogP -1.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Synonyms
pantothenate | vitamin B5
Database Links
CAS Registry No. 79-83-4 (source: Scifinder)
ChEBI CHEBI:46905
ChEMBL Ligand CHEMBL1594
PubChem CID 6613
RCSB PDB Ligand PAU
Search Google for chemical match using the InChIKey GHOKWGTUZJEAQD-ZETCQYMHSA-N
Search Google for chemicals with the same backbone GHOKWGTUZJEAQD
Search UniChem for chemical match using the InChIKey GHOKWGTUZJEAQD-ZETCQYMHSA-N
Search UniChem for chemicals with the same backbone GHOKWGTUZJEAQD
Wikipedia Pantothenic_acid