Structure Database (LMSD)
Common Name
FAHFA 18:0/12O(FA 16:0)
Systematic Name
12-octadecanoyloxy-hexadecanoic acid
Synonyms
- 12-SAHPA
LM ID
LMFA07090047
Formula
Exact Mass
Calculate m/z
538.49611
Sum Composition
Abbrev Chains
FAHFA 18:0/16:0;O
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of FAHFA 18:0/12O(FA 16:0)
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)
PAPAJXFPYIPNIP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H66O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-24-27-31-34(37)38-32(28-6-4-2)29-25-22-19-17-18-20-23-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)
SMILES (Click to copy)
C(CCCCCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCCCC)=O)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
626.64
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
11.62
Molar Refractivity
163.27
Admin
Created at
-
Updated at
14th Jun 2023