Structure Database (LMSD)

Common Name
(Z)-heptadec-14-en-12-yn-2-one
Systematic Name
Heptadec-14Z-en-12-yn-2-one
Synonyms
LM ID
LMFA12000375
Formula
C17H28O
Exact Mass
Calculate m/z
248.214015
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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)
OXKMRJUGQAGNFL-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C17H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h4-5H,3,8-16H2,1-2H3/b5-4-
SMILES (Click to copy)
C(#CCCCCCCCCCC(C)=O)/C=C\CC

Other Databases

CHEBI ID
185841
PubChem CID
134812118

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 300.89
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.06
Molar Refractivity 79.44

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Updated at
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