Structure Database (LMSD)

Common Name
29:3(5Z,9Z,23Z)
Systematic Name
5Z,9Z,23Z-Nonacosatrienoic acid
Synonyms
  • C29:3n-6,20,24
LM ID
LMFA01030904
Formula
C29H52O2
Exact Mass
Calculate m/z
432.39673
Sum Composition
FA 29:3
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
Baikalospongia bacillifera (#83851)
Demospongiae (#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

String Representations

InChiKey (Click to copy)
ABIWRWMUWLVFEI-LDOUDTNPSA-N
InChi (Click to copy)
InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h6-7,20-21,24-25H,2-5,8-19,22-23,26-28H2,1H3,(H,30,31)/b7-6-,21-20-,25-24-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCCCC/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
52921856

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 517.28
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.95
Molar Refractivity 137.69

Admin

Created at
-
Updated at
25th Apr 2022