Structure Database (LMSD)

Common Name
29:2(5Z,9Z)
Systematic Name
5Z,9Z-nonacosadienoic acid
Synonyms
LM ID
LMFA01030888
Formula
C29H54O2
Exact Mass
Calculate m/z
434.41238
Sum Composition
FA 29:2
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 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
Cinachyrella alloclada (#666329)
Demospongiae (#6042)
Phospholipid fatty acids and sterols of two Cinachyrella sponges from the Saudi Arabian Red Sea: comparison with Cinachyrella species from other origins.,
Comp Biochem Physiol B Biochem Mol Biol, 2003
Pubmed ID: 12798940

String Representations

InChiKey (Click to copy)
NZYGRGYXHPUIHY-GPIXMANTSA-N
InChi (Click to copy)
InChI=1S/C29H54O2/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/h20-21,24-25H,2-19,22-23,26-28H2,1H3,(H,30,31)/b21-20-,25-24-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCCCCC)(=O)O

Other Databases

PubChem CID
52921845

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 519.92
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.18
Molar Refractivity 137.78

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Created at
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Updated at
25th Apr 2022