Structure Database (LMSD)
Common Name
FAHFA 14:0/11O(FA 18:3(9Z,12Z,15Z)[R])
Systematic Name
11R-(nonadecanoyloxy)octadeca-9Z,12Z,15Z-trienoic acid
Synonyms
- Mayolene-19
- 11-nonadecanoyl-11R-hydroxyoctadeca-9Z,12Z,15Z-trienoic acid
LM ID
LMFA07090152
Formula
Exact Mass
Calculate m/z
574.49611
Sum Composition
Abbrev Chains
FAHFA 19:0/18:3;O
Status
Active
3D model of FAHFA 14:0/11O(FA 18:3(9Z,12Z,15Z)[R])
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZBRFIBBSTKLUNQ-XGYXFQHVSA-N
InChi (Click to copy)
InChI=1S/C37H66O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-26-30-34-37(40)41-35(31-27-23-8-6-4-2)32-28-24-20-19-21-25-29-33-36(38)39/h6,8,27-28,31-32,35H,3-5,7,9-26,29-30,33-34H2,1-2H3,(H,38,39)/b8-6-,31-27-,32-28-/t35-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\[C@@H](OC(CCCCCCCCCCCCCCCCCC)=O)/C=C\C/C=C\CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
670.62
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
12.12
Molar Refractivity
176.84
Admin
Created at
-
Updated at
14th Jun 2023