Structure Database (LMSD)

Common Name
4E,6E,11Z-Hexadecatrienal
Systematic Name
4E,6E,11Z-Hexadecatrienal
Synonyms
LM ID
LMFA06000199
Formula
C16H26O
Exact Mass
Calculate m/z
234.198365
Sum Composition
FAL 16:3
Status
Active
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
Samia ricini (#63990)
Insecta (#50557)
Pheromones, 71. Identification and synthesis of female sex pheromone of eri-silkworm, Samia cynthia ricini (lepidoptera: saturniidae),
Tetrahedron Letts, 1989

String Representations

InChiKey (Click to copy)
FEMMLZBDOKRYQM-QABVOADDSA-N
InChi (Click to copy)
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,10-13,16H,2-4,7-9,14-15H2,1H3/b6-5-,11-10+,13-12+
SMILES (Click to copy)
C(CC/C=C/C=C/CCC/C=C\CCCC)(=O)[H]

Other Databases

CHEBI ID
180122
PubChem CID
15024651

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 283.59
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.99
Molar Refractivity 76.09

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Created at
-
Updated at
3rd Sep 2024