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
Classification
Category
Main Class
Sub Class
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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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
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
Admin
Created at
-
Updated at
25th Apr 2022