Structure Database (LMSD)

Common Name
9Z-Hexadecenal
Systematic Name
9Z-Hexadecenal
Synonyms
LM ID
LMFA06000217
Formula
C16H30O
Exact Mass
Calculate m/z
238.229666
Sum Composition
FAL 16:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Heliothis (#7101)
Insecta (#50557)
Trace chemicals: the essence of sexual communication systems in heliothis species.,
Science, 1979
Pubmed ID: 17813171

String Representations

InChiKey (Click to copy)
QFPVVMKZTVQDTL-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCC)(=O)[H]

Other Databases

CHEBI ID
179683
PubChem CID
5364643
PDB ID
81K

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 288.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.44
Molar Refractivity 76.28

Admin

Created at
-
Updated at
6th Jan 2025