Structure Database (LMSD)

Common Name
Methyl 9Z-hexadecenoate
Systematic Name
Methyl 9Z-hexadecenoate
Synonyms
  • WE(1:0/16:1(9Z))
LM ID
LMFA07010501
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
SFE 17:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
IZFGRAGOVZCUFB-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OC

Other Databases

CHEBI ID
84156
PubChem CID
643801
Cayman ID
20605

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.42
Molar Refractivity 82.23

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Created at
-
Updated at
6th Jun 2022