Structure Database (LMSD)
Common Name
Heneicosylic acid
Systematic Name
Heneicosanoic acid
Synonyms
- Henicosanoic acid
- C21:0
3D model of Heneicosylic 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)
CKDDRHZIAZRDBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCC
References
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0021
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
386.80
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.50
Molar Refractivity
101.03
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Admin
Created at
-
Updated at
25th Apr 2022