Structure Database (LMSD)

Common Name
Valeric acid
Systematic Name
Pentanoic acid
Synonyms
  • C5:0
  • Valerianic acid
LM ID
LMFA01010005
Status
Active
Exact Mass
Calculate m/z
102.06808
Formula
C5H10O2
Abbrev
FA 5:0
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Straight chain fatty acids [FA0101]

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
Valeric acid
KEGG ID
C00803
HMDB ID
HMDB0000892
CHEBI ID
17418
LIPIDBANK ID
DFA0005
PubChem CID
7991
PlantFA ID
10014
SwissLipids ID
SLM:000389552

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