Structure Database (LMSD)

Common Name
(Z)-hexadec-13-enal
Systematic Name
Hexadec-13Z-enal
Synonyms
LM ID
LMFA06000265
Status
Active
Exact Mass
Calculate m/z
238.229665
Formula
C16H30O
Abbrev
FAL 16:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
DURQBSPXQWPALK-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,16H,2,5-15H2,1H3/b4-3-
SMILES (Click to copy)
C(CCCC/C=C\CC)CCCCCCC([H])=O

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

Other Databases

PubChem CID
6430177

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 288.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.44
Molar Refractivity 76.28

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Updated at
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