Structure Database (LMSD)

Common Name
Coreynic acid
Systematic Name
5Z,8Z,11Z-nonadecatrienoic acid
Synonyms
  • C19:3n-8,11,14
LM ID
LMFA01031359
Formula
C19H32O2
Exact Mass
Calculate m/z
292.24023
Sum Composition
FA 19:3
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)
HGXPNTRWDSQNGL-ORZIMQNZSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h8-9,11-12,14-15H,2-7,10,13,16-18H2,1H3,(H,20,21)/b9-8-,12-11-,15-14-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome.,
Nat Commun, 2023
Pubmed ID: 37402773

Other Databases

CHEBI ID
197307
PubChem CID
168499385

Calculated Physicochemical Properties

Heavy Atoms 21
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 344.28
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.05
Molar Refractivity 91.52

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

Admin

Created at
26th Jul 2023
Updated at
26th Jul 2023