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

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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Discovery of a class of endogenous mammalian lipids with anti-diabetic and anti-inflammatory effects,
Cell, 2014
Pubmed ID: 25303528

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

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Created at
-
Updated at
14th Jun 2023