Common NameHexadecanoate
Descriptiontrue
Structure
Molecular FormulaC16H32O2
Average Mass256.42410
Monoisotopic Mass256.24023
IUPAC Namehexadecanoic acid
Traditional NamePalmitic acid
CAS Registry Number1957-10-03
SMILESCCCCCCCCCCCCCCCC(=O)[O-]
InChI IdentifierInChI=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 KeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
CHEBI IDCHEBI:7896
HMDB IDHMDB0000220
Pathways
NameSMPDB/PathBank
Primary bile acid biosynthesis
Steroid Biosynthesis
Glycerolipid Metabolism
Fatty acid Metabolism
Fatty Acid Elongation In Mitochondria
Ibandronate Action Pathway
Simvastatin Action Pathway
Pravastatin Action Pathway
Rosuvastatin Action Pathway
Alendronate Action Pathway
Lovastatin Action Pathway
Zoledronate Action Pathway
Cerivastatin Action Pathway
Risedronate Action Pathway
Pamidronate Action Pathway
Fluvastatin Action Pathway
Atorvastatin Action Pathway
Ethylmalonic Encephalopathy
Glutaric Aciduria Type I
Glycerol Kinase Deficiency
Hypercholesterolemia
Short Chain Acyl CoA Dehydrogenase Deficiency (SCAD Deficiency)
Congenital Bile Acid Synthesis Defect Type II
Cerebrotendinous Xanthomatosis (CTX)
Zellweger Syndrome
Familial Hypercholanemia (FHCA)
Congenital Bile Acid Synthesis Defect Type III
Lysosomal Acid Lipase Deficiency (Wolman Disease)
Desmosterolosis
Smith-Lemli-Opitz Syndrome (SLOS)
Fatty Acid Biosynthesis
Cholesteryl ester storage disease
Hyper-IgD syndrome
Mevalonic aciduria
Wolman disease
D-glyceric acidura
Familial lipoprotein lipase deficiency
Carnitine palmitoyl transferase deficiency (I)
Long chain acyl-CoA dehydrogenase deficiency (LCAD)
Very-long-chain acyl coa dehydrogenase deficiency (VLCAD)
Carnitine palmitoyl transferase deficiency (II)
Medium chain acyl-coa dehydrogenase deficiency (MCAD)
Long-chain-3-hydroxyacyl-coa dehydrogenase deficiency (LCHAD)
Trifunctional protein deficiency
27-Hydroxylase Deficiency
StateNot Available
Water Solubility4.07e-04 g/l
logP7.23
logS-5.80
pKa (Strongest Acidic)4.95
pKa (Strongest Basic)Not Available
Hydrogen Acceptor Count2
Hydrogen Donor Count1
Polar Surface Area37.3 Ų
Rotatable Bond Count14
Physiological Charge-1
Formal Charge0
Refractivity77.08 m³·mol⁻¹
Polarizability34.37

We require the use of cookies for essential features like storing your previously submitted BASys2 queries. Rejecting the usage of cookies will result in certain features being disabled. By clicking ACCEPT or continuing to use the website you are agreeing to our use of cookies.

ACCEPT