palmitic acid   Click here for help

GtoPdb Ligand ID: 1055

Synonyms: C16:0 | cetylic acid | palmitate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCC(=O)O
Isomeric SMILES CCCCCCCCCCCCCCCC(=O)O
InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChI Key IPCSVZSSVZVIGE-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
Hexadecanoic acid
Synonyms Click here for help
C16:0 | cetylic acid | palmitate
Database Links Click here for help
BindingDB Ligand 50152850
CAS Registry No. 57-10-3
ChEBI CHEBI:15756
ChEMBL Ligand CHEMBL82293
DrugBank Ligand DB03796
GtoPdb PubChem SID 135651535
PubChem CID 985
RCSB PDB Ligand PLM
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Wikipedia Palmitic_acid