Structure Database (LMSD)

Common Name
10E,12E,14E-Hexadecatrienyl acetate
Systematic Name
10E,12E,14E-Hexadecatrienyl acetate
Synonyms
LM ID
LMFA07010350
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)
RHQLQUKJKWSMFG-ARQDATDDSA-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/h3-8H,9-17H2,1-2H3/b4-3+,6-5+,8-7+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCC/C=C/C=C/C=C/C

Other Databases

CHEBI ID
180169
PubChem CID
14216071

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

Admin

Created at
-
Updated at
6th Jun 2022