Structure Database (LMSD)

Common Name
(E)-octadeca-15,17-dien-9,11,13-triynoic acid
Systematic Name
Octadeca-15,17-(E)-dien-9,11,13-triynoic acid
Synonyms
LM ID
LMFA01031146
Formula
Exact Mass
Calculate m/z
268.14633
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
Ochanostachys amentacea (#397394)
Magnoliopsida (#3398)
Biosynthesis and function of polyacetylenes and allied natural products.,
Prog Lipid Res, 2008
Pubmed ID: 18387369

String Representations

InChiKey (Click to copy)
AFPIFUWZTJSLOR-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4H,1,11-17H2,(H,19,20)/b4-3+
SMILES (Click to copy)
C(CCCCCCCC(=O)O)#CC#CC#C/C=C/C=C

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 313.78
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.55
Molar Refractivity 82.62

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Created at
-
Updated at
25th Apr 2022