Structure Database (LMSD)

Common Name
Dinheic acid
Systematic Name
5Z,8Z,15Z-octadecatrienoic acid
Synonyms
  • C18:3n-3,10,13
LM ID
LMFA01031363
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
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

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

String Representations

InChiKey (Click to copy)
VXFUDBKSJKGONG-CYMJPOPFSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,10-11,13-14H,2,5-9,12,15-17H2,1H3,(H,19,20)/b4-3-,11-10-,14-13-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CCCCC/C=C\CC)(=O)O

Other Databases

CHEBI ID
195343
PubChem CID
168432181

Calculated Physicochemical Properties

Heavy Atoms 20
Rings
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.66
Molar Refractivity 86.90

Admin

Created at
16th Aug 2023
Updated at
16th Aug 2023