Structure Database (LMSD)
Common Name
Phellonic acid
Systematic Name
22-hydroxy-docosanoic acid
Synonyms
- omega-hydroxy behenic acid
3D model of Phellonic acid
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)
IBPVZXPSTLXWCG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h23H,1-21H2,(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCO
Other Databases
CHEBI ID
LIPIDBANK ID
DFA0345
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
412.89
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
7.15
Molar Refractivity
107.55
Admin
Created at
-
Updated at
-