Structure Database (LMSD)

Common Name
FAHFA 17:0/9O(FA 18:0)
Systematic Name
9-heptadecanoyloxy-octadecanoic acid
Synonyms
  • 9-HDAHSA
  • 9-heptadecanoyloxystearic acid
LM ID
LMFA07090087
Formula
C35H68O4
Exact Mass
Calculate m/z
552.51176
Sum Composition
FAHFA 35:0;O
Abbrev Chains
FAHFA 17:0/18:0;O
Status
Active
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)
IMSVZRAIPHPOKC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H68O4/c1-3-5-7-9-11-12-13-14-15-16-17-19-24-28-32-35(38)39-33(29-25-21-18-10-8-6-4-2)30-26-22-20-23-27-31-34(36)37/h33H,3-32H2,1-2H3,(H,36,37)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCCC)=O)CCCCCCCCC

Other Databases

PubChem CID
101527476

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 643.94
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 12.01
Molar Refractivity 167.89

Admin

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