Structure Database (LMSD)

Common Name
Valeric acid
Systematic Name
Pentanoic acid
Synonyms
  • C5:0
  • Valerianic acid
LM ID
LMFA01010005
Formula
Exact Mass
Calculate m/z
102.06808
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
SMILES (Click to copy)
CCCCC(=O)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0005
PubChem CID
PlantFA ID
SwissLipids ID
PDB ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 110.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.26
Molar Refractivity 27.16

Reactions

Filter by species:
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.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022