Structure Database (LMSD)

Common Name
DTrE
Systematic Name
13Z,16Z,19Z-docosatrienoic acid
Synonyms
  • C22:3n-3,6,9
LM ID
LMFA01030408
Formula
C22H38O2
Exact Mass
Calculate m/z
334.28718
Sum Composition
FA 22:3
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 are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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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)
WBBQTNCISCKUMU-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

LIPIDAT ID
3227
HMDB ID
HMDB0002823
CHEBI ID
77807
PubChem CID
5312557
PlantFA ID
10161
Cayman ID
90170

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 396.18
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.22
Molar Refractivity 105.37

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Created at
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Updated at
25th Apr 2022