Structure Database (LMSD)

Common Name
Docosyl acetate
Systematic Name
Docosyl acetate
Synonyms
LM ID
LMFA07010405
Formula
C24H48O2
Exact Mass
Calculate m/z
368.36543
Sum Composition
SFE 24:0
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]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
AWYRDXDPCQRJHE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h3-23H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
180075
PubChem CID
69969

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.66
Molar Refractivity 115.14

Admin

Created at
-
Updated at
6th Jun 2022