Structure Database (LMSD)

Common Name
9Z-Hexadecen-1-ol
Systematic Name
9Z-Hexadecen-1-ol
Synonyms
LM ID
LMFA05000204
Formula
C16H32O
Exact Mass
Calculate m/z
240.245316
Sum Composition
FOH 16:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

Reactions

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ⓘ 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.
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Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bombus lapidarius (#30192)
Insecta (#50557)
Species and sex-specific compounds from the heads of male bumblebees (Bombus spp.).,
Nature, 1969
Pubmed ID: 5765060

String Representations

InChiKey (Click to copy)
LBIYNOAMNIKVKF-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,17H,2-6,9-16H2,1H3/b8-7-
SMILES (Click to copy)
OCCCCCCCC/C=C\CCCCCC

Other Databases

CHEBI ID
75623
PubChem CID
5367661
Cayman ID
30462

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 291.51
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.52
Molar Refractivity 77.79

Admin

Created at
-
Updated at
11th Dec 2024