Structure Database (LMSD)
Common Name
FAHFA 16:0/5O(FA 18:0)
Systematic Name
5-hexadecanoyloxy-octadecanoic acid
Synonyms
- 5-PAHSA
LM ID
LMFA07090001
Formula
Exact Mass
Calculate m/z
538.496111
Sum Composition
Abbrev Chains
FAHFA 16:0/18:0;O
Status
Curated
3D model of FAHFA 16:0/5O(FA 18:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Enoximone is a phosphodiesterase 3 (PDE3) inhibitor (IC50 = 5.9 µM).1 It is selective for PDE3 over PDE1, -2, and -4 (IC50s = 2,100, 2,900, and 21.1 µM, respectively). Enoximone increases the force of contraction and cAMP levels in isolated canine right ventricular trabeculae, an effect that can be reversed by carbamoylcholine (carbachol).2 In vivo, enoximone (0.1-1 mg/kg) increases cardiac contractile force in dogs.3 Formulations containing enoximone have been used in the treatment of congestive heart failure.
This information has been provided by Cayman Chemical
References
References
String Representations
InChiKey (Click to copy)
QBGKCWKQYJQHJX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36)
SMILES (Click to copy)
C(CCC(=O)O)C(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCC
Other Databases
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
626.64
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
11.62
Molar Refractivity
163.27
Admin
Created at
-
Updated at
14th Jun 2023