Structure Database (LMSD)

Common Name
(7E,9E,15E)-heptadeca-7,9,15-trien-11,13-diyn-4-one
Systematic Name
Heptadeca-7E,9E,15E-trien-11,13-diyn-4-one
Synonyms
LM ID
LMFA01060215
Formula
C17H20O
Exact Mass
Calculate m/z
240.151415
Sum Composition
FA 17:7;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

References

Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub

String Representations

InChiKey (Click to copy)
JRTSGUNUURZHCS-LEKYDIDXSA-N
InChi (Click to copy)
InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3,5,10-13H,4,14-16H2,1-2H3/b5-3+,11-10+,13-12+
SMILES (Click to copy)
C(#CC#C/C=C/C=C/CCC(=O)CCC)/C=C/C

Other Databases

PubChem CID
12313692

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 290.33
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.83
Molar Refractivity 77.80

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Updated at
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