Structure Database (LMSD)

O OH
Common Name
19:2(5Z,9Z)
Systematic Name
5Z,9Z-nonadecadienoic acid
Synonyms
  • C19:2n-9,13
LM ID
LMFA01030899
Formula
C19H34O2
Exact Mass
Calculate m/z
294.25588
Sum Composition
FA 19:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
JDWQYMIWIRVHMF-JPTBNZNUSA-N
InChi (Click to copy)
InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h10-11,14-15H,2-9,12-13,16-18H2,1H3,(H,20,21)/b11-10-,15-14-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Malvaviscus arboreus (#93788)
Magnoliopsida (#3398)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

Other Databases

PubChem CID
52921851

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 346.92
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.27
Molar Refractivity 91.61

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

Admin

Created at
-
Updated at
25th Apr 2022