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
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)
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
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
Admin
Created at
-
Updated at
25th Apr 2022