Structure Database (LMSD)

Common Name
Ethyl icosapentate
Systematic Name
ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Synonyms
LM ID
LMFA07010877
Formula
C22H34O2
Exact Mass
Calculate m/z
330.25588
Sum Composition
SFE 22:5
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]

String Representations

InChiKey (Click to copy)
SSQPWTVBQMWLSZ-AAQCHOMXSA-N
InChi (Click to copy)
InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
SMILES (Click to copy)
O(C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CC

Other Databases

KEGG ID
C16184
HMDB ID
HMDB0039530
CHEBI ID
84883
PubChem CID
9831415
Cayman ID
10008884
GuidePharm ID
7441

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 390.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.76
Molar Refractivity 105.43

Admin

Created at
-
Updated at
6th Jun 2022