Structure Database (LMSD)

Common Name
Meanjinic acid
Systematic Name
5Z,8Z-eicosadienoic acid
Synonyms
  • C20:2n-12,15
LM ID
LMFA01031348
Formula
Exact Mass
Calculate m/z
308.27153
Sum Composition
Status
Active

Classification

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)
HSHDOYQKHGCWCC-QGLGPCELSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-13,15-16H,2-11,14,17-19H2,1H3,(H,21,22)/b13-12-,16-15-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CCCCCCCCCCC)(=O)O

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 364.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.66
Molar Refractivity 96.23

Admin

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