Ligand Id: 1055
Ligand name palmitic acid

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 37.3
Molecular weight 256.24
XLogP 7.57
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
Hexadecanoic acid
Synonyms
C16:0
cetylic acid
hexadecanoic acid
palmitate
Database Links
BindingDB Ligand 50152850
CAS Registry No. 57-10-3 (source: DrugBank), 555-35-1 (source: NCI)
ChEBI CHEBI:15756
ChEMBL Ligand 233028
DrugBank Ligand DB03796
Human Metabolome Database HMDB00220
Lipid Maps LMFA01010001
NURSA Ligand li44
PubChem CID 985
RCSB PDB Ligand PLM, FAT
Search on ChemSpider IPCSVZSSVZVIGE-UHFFFAOYSA-N
Wikipedia Palmitic_acid
ZINC ZINC06072466
iPHACE KEV3FAGU

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

Contact us | Print | Back to top | Help