Structure Database (LMSD)
Common Name
FAHFA 18:0/10O(FA 18:0)
Systematic Name
10-octadecanoyloxy-octadecanoic acid
Synonyms
- 10-SAHSA
LM ID
LMFA07090013
Formula
Exact Mass
Calculate m/z
566.52741
Sum Composition
Abbrev Chains
FAHFA 18:0/18:0;O
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of FAHFA 18:0/10O(FA 18:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
KARVIOOFYPUCOA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H70O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-25-29-33-36(39)40-34(30-26-22-10-8-6-4-2)31-27-23-20-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)
SMILES (Click to copy)
C(CCCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCCCC)=O)CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
0
Aromatic Rings
0
Rotatable Bonds
34
Van der Waals Molecular Volume
661.24
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
12.40
Molar Refractivity
172.50
Admin
Created at
-
Updated at
14th Jun 2023