Structure Database (LMSD)

Common Name
Methyl hexadecanoate
Systematic Name
Methyl hexadecanoate
Synonyms
  • WE(1:0/16:0)
LM ID
LMFA07010470
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
SFE 17:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
FLIACVVOZYBSBS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OC

Other Databases

KEGG ID
C16995
HMDB ID
HMDB0061859
CHEBI ID
69187
PubChem CID
8181
Cayman ID
10007358

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.64
Molar Refractivity 82.33

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Created at
-
Updated at
6th Jun 2022