Structure Database (LMSD)

Common Name
22:2(7Z,13Z)
Systematic Name
7Z,13Z-docosadienoic acid
Synonyms
  • C22:2n-9,15
LM ID
LMFA04000061
Formula
C22H40O2
Exact Mass
Calculate m/z
336.30283
Sum Composition
FA 22:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

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

String Representations

InChiKey (Click to copy)
HHSQSZLEUFWPRH-GJWNNSPJSA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,15-16H,2-8,11-14,17-21H2,1H3,(H,23,24)/b10-9-,16-15-
SMILES (Click to copy)
C(CCCCC/C=C\CCCC/C=C\CCCCCCCC)(=O)O

Other Databases

PubChem CID
52922001

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 398.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.44
Molar Refractivity 105.46

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Created at
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Updated at
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