Structure Database (LMSD)

Common Name
9E,15E,19Z-docosatrienoic acid
Systematic Name
9E,15E,19Z-docosatrienoic acid
Synonyms
LM ID
LMFA01031211
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
Ophiura sarsii (#861515)
Ophiuroidea (#7618)
Identification of novel nonmethylene-interrupted fatty acids, 7E,13E-20:2, 7E,13E,17Z-20:3, 9E,15E,19Z-22:3, and 4Z,9E,15E,19Z-22:4, in Ophiuroidea (brittle star) lipids.,
Lipids, 2001
Pubmed ID: 11834090

String Representations

InChiKey (Click to copy)
MUDDABLMNYAAES-RHNRANPYSA-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/h3-4,7-8,13-14H,2,5-6,9-12,15-21H2,1H3,(H,23,24)/b4-3-,8-7+,14-13+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCC/C=C/CC/C=C\CC)(=O)O

Other Databases

PubChem CID
102021029

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

Admin

Created at
13th Nov 2020
Updated at
25th Apr 2022