Structure Database (LMSD)
Common Name
22:4(4Z,7Z,10Z,13E)
Systematic Name
4Z,7Z,10Z,13E-docosatetraenoic acid
Synonyms
3D model of 22:4(4Z,7Z,10Z,13E)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Reference
Occurrence of the cis-4,7,10, trans-13-22:4 Fatty Acid
in the Family Pectinidae (Mollusca: Bivalvia)
Edouard Kraffe, Jacques Grall, Elena Palacios, Citlali Guerra and Philippe Soudant, et al.
Lipids (2010) 45:437-44
in the Family Pectinidae (Mollusca: Bivalvia)
Edouard Kraffe, Jacques Grall, Elena Palacios, Citlali Guerra and Philippe Soudant, et al.
Lipids (2010) 45:437-44
String Representations
InChiKey (Click to copy)
WSCPRLMTEVITJR-DEYSSILGSA-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/h9-10,12-13,15-16,18-19H,2-8,11,14,17,20-21H2,1H3,(H,23,24)/b10-9+,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C/CCCCCCCC)(=O)O
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
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Updated at
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