Structure Database (LMSD)
Common Name
FAHFA 18:1(9Z)/5O(FA 16:0)
Systematic Name
5-(9Z-octadecenoyloxy)-hexadecanoic acid
Synonyms
- 5-OAHPA
LM ID
LMFA07090057
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)/5O(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)
UAZCWBNQQMBYIU-NXVVXOECSA-N
InChi (Click to copy)
InChI=1S/C34H64O4/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-12-10-8-6-4-2/h15-16,32H,3-14,17-31H2,1-2H3,(H,35,36)/b16-15-
SMILES (Click to copy)
C(CCC(=O)O)C(OC(CCCCCCC/C=C\CCCCCCCC)=O)CCCCCCCCCCC
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