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
Main
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
References
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
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Created at
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Updated at
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