Structure Database (LMSD)

Common Name
FAHFA 16:0/9O(FA 14:0)
Systematic Name
9-hexadecanoyloxy-tetradecanoic acid
Synonyms
  • 9-PAHMA
  • 9-palmitoyloxymyristic acid
LM ID
LMFA07090097
Formula
C30H58O4
Exact Mass
Calculate m/z
482.43351
Sum Composition
FAHFA 30:0;O
Abbrev Chains
FAHFA 16:0/14:0;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)
ADZIVQSYWSLHHX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-27-30(33)34-28(24-20-6-4-2)25-21-17-16-18-22-26-29(31)32/h28H,3-27H2,1-2H3,(H,31,32)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCC)=O)CCCCC

Other Databases

PubChem CID
133048847

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 557.44
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 10.06
Molar Refractivity 144.80

Admin

Created at
10th Apr 2020
Updated at
14th Jun 2023