Structure Database (LMSD)

Common Name
Pelargonic acid
Systematic Name
nonanoic acid
Synonyms
  • Nonylic acid
  • C9:0
  • Nonoic acid
LM ID
LMFA01010009
Formula
Exact Mass
Calculate m/z
158.13068
Sum Composition
Status
Active


Main

Classification

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

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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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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022