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
Formula
C18H22O2
Exact Mass
Calculate m/z
270.16198
Sum Composition
FAL 18:7;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

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

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

Other Databases

PubChem CID
134812240

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

Admin

Created at
-
Updated at
21st Jul 2021