Structure Database (LMSD)

Common Name
13,16-docosadienoic acid
Systematic Name
13,16-docosadienoic acid
Synonyms
  • C22:2n-6,9
LM ID
LMFA01030132
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
HVGRZDASOHMCSK-AVQMFFATSA-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/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6+,10-9+
SMILES (Click to copy)
C(CC/C=C/C/C=C/CCCCC)CCCCCCCCC(=O)O

Other Databases

CHEBI ID
145970
LIPIDBANK ID
DFA0171
PubChem CID
5282807

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
-
Updated at
25th Apr 2022