Structure Database (LMSD)

Common Name
Orbonaic acid
Systematic Name
5Z,8Z-nonadecadienoic acid
Synonyms
  • C19:2n-11,14
LM ID
LMFA01031345
Formula
C19H34O2
Exact Mass
Calculate m/z
294.25588
Sum Composition
FA 19:2
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.
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)
YLTQJSFIWUSPLP-HDXUUTQWSA-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/h11-12,14-15H,2-10,13,16-18H2,1H3,(H,20,21)/b12-11-,15-14-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CCCCCCCCCC)(=O)O

Other Databases

CHEBI ID
197302
PubChem CID
168499381

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

Admin

Created at
20th Jul 2023
Updated at
20th Jul 2023