Structure Database (LMSD)

Common Name
FAHFA 16:0/3O(FA 18:0)
Systematic Name
3-hexadecanoyloxy-octadecanoic acid
Synonyms
  • 3-PAHSA
  • 3-palmitoyloxystearic Acid
LM ID
LMFA07090072
Formula
C34H66O4
Exact Mass
Calculate m/z
538.496111
Sum Composition
FAHFA 34:0;O
Abbrev Chains
FAHFA 16:0/18:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
FAHFA footprint in the visceral fat of mice across their lifespan.,
Biochim Biophys Acta Mol Cell Biol Lipids, 2020
Pubmed ID: 31988049

String Representations

InChiKey (Click to copy)
UKZPVOXSOKDEQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(31-33(35)36)38-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36)
SMILES (Click to copy)
C(C(=O)O)C(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
13489028

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
9th Apr 2020
Updated at
14th Jun 2023