Structure Database (LMSD)

Common Name
4E,6Z,10Z-Hexadecatrienyl acetate
Systematic Name
4E,6Z,10Z-Hexadecatrienyl acetate
Synonyms
LM ID
LMFA07010360
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
SFE 18:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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

String Representations

InChiKey (Click to copy)
GCCUWZBYWXQZDX-WZFKEEQNSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h7-8,11-14H,3-6,9-10,15-17H2,1-2H3/b8-7-,12-11-,14-13+
SMILES (Click to copy)
O(C(=O)C)CCC/C=C/C=C\CC/C=C\CCCCC

Other Databases

CHEBI ID
180164
PubChem CID
13560375

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.64
Molar Refractivity 87.15

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Created at
-
Updated at
6th Jun 2022