Structure Database (LMSD)

Common Name
Pentanal
Systematic Name
Pentanal
Synonyms
LM ID
LMFA06000251
Formula
C5H10O
Exact Mass
Calculate m/z
86.073165
Sum Composition
FAL 5:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alcelaphus caama (#59519)
Mammalia (#40674)
Mammalian exocrine secretions. XVIII: Chemical characterization of interdigital secretion of red hartebeest, Alcelaphus buselaphus caama.,
J Chem Ecol, 2003
Pubmed ID: 14682509

String Representations

InChiKey (Click to copy)
HGBOYTHUEUWSSQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
SMILES (Click to copy)
C(CCCC)(=O)[H]

Other Databases

Wikipedia
Pentanal
HMDB ID
HMDB0031206
CHEBI ID
84069
PubChem CID
8063
SwissLipids ID
SLM:000399867
PDB ID
PTL

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 101.21
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.38
Molar Refractivity 25.59

Admin

Created at
-
Updated at
23rd Jan 2025