Structure Database (LMSD)
Common Name
4Z,9E,15E,19Z-docosatetraenoic acid
Systematic Name
4Z,9E,15E,19Z-docosatetraenoic acid
Synonyms
3D model of 4Z,9E,15E,19Z-docosatetraenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NTXLLHGDPUQRMW-CXIJYGAVSA-N
InChi (Click to copy)
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,7-8,13-14,18-19H,2,5-6,9-12,15-17,20-21H2,1H3,(H,23,24)/b4-3-,8-7+,14-13+,19-18-
SMILES (Click to copy)
C(CC/C=C\CCC/C=C/CCCC/C=C/CC/C=C\CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ophiura sarsii
(#861515)
Ophiuroidea
(#7618)
Identification of novel nonmethylene-interrupted fatty acids, 7E,13E-20:2, 7E,13E,17Z-20:3, 9E,15E,19Z-22:3, and 4Z,9E,15E,19Z-22:4, in Ophiuroidea (brittle star) lipids.,
Lipids, 2001
Lipids, 2001
Pubmed ID:
11834090
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
393.54
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.00
Molar Refractivity
105.27
Reactions
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Admin
Created at
13th Nov 2020
Updated at
25th Apr 2022