Molecular Details
DICL_CP_0320659
- heptadecanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320659
PubChem CID
Molecular Formula
C17H34O2 Molecular Weight
270.457 g/mol
Synonyms/Alias
[HEPTADECANOIC ACID; 506-12-7; Margaric acid; n-Heptadecanoic acid; Margarinic acid; n-Heptadecylic acid; n-Heptadecoic acid; Heptadecylic acid; NSC 3743; C17:0; Normal-heptadecanoic acid; MFCD0000275...
InChI Key
KEMQGTRYUADPNZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
IUPAC Name
heptadecanoic acid
CAS Number
506-12-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
53 52 0 0 0 0 0 0 0 0999 V2000
-7.0831 -0.8839 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5712 -1.4192 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0526 -1.671...
Experimental Data
Activity Data
Target Ion Channel
Piezo1
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.3
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Calcium imaging)
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
19
Rotatable Bonds
15
logP
5.9424
Complexity
82.5648
TPSA (Ų)
37.3
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0