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]

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