Structure Database (LMSD)

O O O
Common Name
Methyl 7-oxo-11E-tetradecenoate
Systematic Name
Methyl 7-oxo-11E-tetradecenoate
Synonyms
  • WE(1:0/14:1(11E)(7Ke))
LM ID
LMFA07010489
Formula
C15H26O3
Exact Mass
Calculate m/z
254.188195
Sum Composition
SFE 15:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
VXYDRFPPIDYAPI-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C15H26O3/c1-3-4-5-6-8-11-14(16)12-9-7-10-13-15(17)18-2/h4-5H,3,6-13H2,1-2H3/b5-4+
SMILES (Click to copy)
O=C(CCCCCC(=O)CCC/C=C/CC)OC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
137776
PubChem CID
56935977

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 286.51
Topological Polar Surface Area 43.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 3.82
Molar Refractivity 73.39

Admin

Created at
-
Updated at
6th Jun 2022