Structure Database (LMSD)
Common Name
Pelargonic acid
Systematic Name
nonanoic acid
Synonyms
- Nonylic acid
- C9:0
- Nonoic acid
3D model of Pelargonic 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)
FBUKVWPVBMHYJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0009
PubChem CID
PlantFA ID
Cayman ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
179.20
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.82
Molar Refractivity
45.63
Reactions
Filter by species:
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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