Structure Database (LMSD)

Common Name
4Z,7Z,9E,11E,13Z,16Z,19Z-docosaheptaenoic acid
Systematic Name
(4Z,7Z,9E,11E,13Z,16Z,19Z)-docosa-4,7,9,11,13,16,19-heptaenoic acid
Synonyms
  • stellaheptaenoic acid
LM ID
LMFA01031158
Formula
C22H30O2
Exact Mass
Calculate m/z
326.22458
Sum Composition
FA 22:7
Status
Curated
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

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anadyomene stellata (#204408)
Ulvophyceae (#33103)
Structure and biosynthesis of novel conjugated polyene fatty acids from the marine green alga Anadyomene stellata.,
Lipids, 1995
Pubmed ID: 7564911

String Representations

InChiKey (Click to copy)
ONCVIMINFCGUNI-SXKGLJMYSA-N
InChi (Click to copy)
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-16,18-19H,2,5,8,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,12-11+,14-13+,16-15-,19-18-
SMILES (Click to copy)
C(=C/C/C=C\C=C\C=C\C=C/C/C=C\C/C=C\CC)/CCC(O)=O

Other Databases

PubChem CID
21773622

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 385.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.32
Molar Refractivity 104.99

Admin

Created at
25th Jun 2019
Updated at
25th Apr 2022