Structure Database (LMSD)

Common Name
22:4(7Z,13Z,16Z,19Z)
Systematic Name
7Z,13Z,16Z,19Z-docosatetraenoic acid
Synonyms
  • C22:4n-3,6,9,15
LM ID
LMFA04000063
Status
Active
Exact Mass
Calculate m/z
332.27153
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
UOFNKTZBIIBWQR-OUJQXAOTSA-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/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,16-15-
SMILES (Click to copy)
C(CCCCC/C=C\CCCC/C=C\C/C=C\C/C=C\CC)(=O)O

References

Reference
Characteristics of the Fatty Acid Composition
of a Deep-Sea Vent Gastropod, Ifremeria nautilei
Hiroaki Saito, Jun Hashimot
Lipids (2010) 45:537-54

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ifremeria nautilei (#71812)
Gastropoda (#6448)
Characteristics of the fatty acid composition of a deep-sea vent gastropod, Ifremeria nautilei.,
Lipids, 2010
Pubmed ID: 20549377

Other Databases

CHEBI ID
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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