Structure Database (LMSD)
Common Name
FAHFA 18:1(9Z)/7O(FA 16:0)
Systematic Name
7-(9Z-octadecenoyloxy)-hexadecanoic acid
Synonyms
- 7-OAHPA
LM ID
LMFA07090058
Formula
Exact Mass
Calculate m/z
536.48046
Sum Composition
Abbrev Chains
FAHFA 18:1/16:0;O
Status
Active
3D model of FAHFA 18:1(9Z)/7O(FA 16:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ATIFITYKKVLLHL-PFONDFGASA-N
InChi (Click to copy)
InChI=1S/C34H64O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-27-31-34(37)38-32(29-25-23-26-30-33(35)36)28-24-21-19-10-8-6-4-2/h14-15,32H,3-13,16-31H2,1-2H3,(H,35,36)/b15-14-
SMILES (Click to copy)
C(CCCCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCCCC)=O)CCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
624.00
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
11.40
Molar Refractivity
163.17
Admin
Created at
-
Updated at
14th Jun 2023