Structure Database (LMSD)

Common Name
Ethyl (Z,Z)-11,13-hexadecadienoate
Systematic Name
Ethyl (Z,Z)-11,13-hexadecadienoate
Synonyms
  • WE(2:0/16:2(11Z,13Z))
LM ID
LMFA07010564
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
SFE 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
IBKYPQHBQFSHTB-ISTTXYCBSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h5-8H,3-4,9-17H2,1-2H3/b6-5-,8-7-
SMILES (Click to copy)
O=C(CCCCCCCCC/C=C\C=C/CC)OCC

Other Databases

CHEBI ID
196497
PubChem CID
11586285

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.87
Molar Refractivity 87.25

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Created at
-
Updated at
6th Jun 2022