Structure Database (LMSD)

Common Name
9Z-Nonadecenal
Systematic Name
9Z-Nonadecenal
Synonyms
LM ID
LMFA06000246
Formula
C19H36O
Exact Mass
Calculate m/z
280.276616
Sum Composition
FAL 19:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Philanthus basilaris (#926288)
Insecta (#50557)
Chemistry of male mandibular gland secretions ofPhilanthus basilaris cresson andPhilanthus bicinctus (Mickel) (Hymenoptera: Sphecidae).,
J Chem Ecol, 1987
Pubmed ID: 24301802

String Representations

InChiKey (Click to copy)
AKQYTSLMKKEXOK-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C19H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h10-11,19H,2-9,12-18H2,1H3/b11-10-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCCCC)(=O)[H]

Other Databases

PubChem CID
44256591

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 340.77
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.61
Molar Refractivity 90.13

Admin

Created at
-
Updated at
6th Jan 2025