Structure Database (LMSD)

OH O O O
Common Name
FAHFA 15:0/9O(FA 18:0)
Systematic Name
9-pentadecanoyloxy-octadecanoic acid
Synonyms
  • 9-PDAHSA
  • 9-Pentadecanoyloxystearic acid
LM ID
LMFA07090079
Formula
C33H64O4
Exact Mass
Calculate m/z
524.48046
Sum Composition
FAHFA 33:0;O
Abbrev Chains
FAHFA 15:0/18:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
YLIVLRPBCWUSPW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H64O4/c1-3-5-7-9-11-12-13-14-15-17-22-26-30-33(36)37-31(27-23-19-16-10-8-6-4-2)28-24-20-18-21-25-29-32(34)35/h31H,3-30H2,1-2H3,(H,34,35)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCC)=O)CCCCCCCCC

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

Other Databases

PubChem CID
101527453

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 609.34
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 11.23
Molar Refractivity 158.65

Admin

Created at
9th Apr 2020
Updated at
14th Jun 2023