Molecular Details
DICL_CP_0318388
- hexadecanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318388
PubChem CID
Molecular Formula
C16H32O2 Molecular Weight
256.43 g/mol
Synonyms/Alias
[palmitic acid; Hexadecanoic acid; 57-10-3; Cetylic acid; palmitate; n-Hexadecanoic acid; Hexadecylic acid; 1-Pentadecanecarboxylic acid; Hydrofol; n-Hexadecoic acid; Palmitinic acid; hexaectylic acid...
InChI Key
IPCSVZSSVZVIGE-UHFFFAOYSA-N
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)
IUPAC Name
hexadecanoic acid
CAS Number
57-10-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
50 49 0 0 0 0 0 0 0 0999 V2000
7.1074 1.2049 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1521 -0.1998 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4473 -0.294...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 2
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: >10000 ( LPC (3 µM) ) nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
25 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
14
logP
5.5523
Complexity
77.9478
TPSA (Ų)
37.3
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0