Structure Database (LMSD)

Common Name
(Z)-16-oxooctadeca-9,17-dien-12,14-diynal
Systematic Name
16-oxooctadeca-9Z,17-dien-12,14-diynal
Synonyms
LM ID
LMFA06000263
Status
Active
Exact Mass
Calculate m/z
270.16198
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FYCINJKGLLPJKB-XQRVVYSFSA-N
InChi (Click to copy)
InChI=1S/C18H22O2/c1-2-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,4,6,17H,1,3,5,7-9,11,13,15H2/b6-4-
SMILES (Click to copy)
C(#CC#CC/C=C\CCCCCCCC([H])=O)C(=O)C=C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pastinaca sativa (#4041)
Magnoliopsida (#3398)
Biosynthesis and function of polyacetylenes and allied natural products.,
Prog Lipid Res, 2008
Pubmed ID: 18387369

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 316.42
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.62
Molar Refractivity 82.90

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Created at
-
Updated at
21st Jul 2021