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
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

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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
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 0
Aromatic Rings 0
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