Structure Database (LMSD)
Common Name
FAHFA 2:0/2O(FA 20:0)
Systematic Name
2-acetoxy-eicosanoic acid
Synonyms
- SFAHFA
LM ID
LMFA07090111
Formula
Exact Mass
Calculate m/z
370.30831
Sum Composition
Abbrev Chains
FAHFA 2:0/20:0;O
Status
Active
3D model of FAHFA 2:0/2O(FA 20:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mus musculus
(#10090)
Mammalia
(#40674)
Identification of short-chain fatty acid esters of hydroxy fatty acids (SFAHFAs) in a murine model by nontargeted analysis using ultra-high-performance liquid chromatography/linear ion trap quadrupole-Orbitrap mass spectrometry.,
Rapid Commun Mass Spectrom, 2020
Rapid Commun Mass Spectrom, 2020
Pubmed ID:
32415683
String Representations
InChiKey (Click to copy)
HFHSNILEJGWFDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22(24)25)26-20(2)23/h21H,3-19H2,1-2H3,(H,24,25)
SMILES (Click to copy)
C(=O)(O)C(OC(C)=O)CCCCCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
419.04
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
6.94
Molar Refractivity
107.86
Admin
Created at
22nd May 2020
Updated at
14th Jun 2023