Structure Database (LMSD)

Systematic Name
14-methyl-3Z-pentadecenenitrile
Synonyms
LM ID
LMFA09000021
Formula
C16H29N
Exact Mass
Calculate m/z
235.229999
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty nitriles [FA09]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micromonospora echinospora (#1877)
Actinomycetes (#1760)
Long-Chain Alkyl Cyanides: Unprecedented Volatile Compounds Released by Pseudomonas and Micromonospora Bacteria.,
Angew Chem Int Ed Engl, 2017
Pubmed ID: 28276609

String Representations

InChiKey (Click to copy)
NYXFTJGURNRCKM-LUAWRHEFSA-N
InChi (Click to copy)
InChI=1S/C16H29N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,16H,3-8,10,12-14H2,1-2H3/b11-9-
SMILES (Click to copy)
C(#N)C/C=C\CCCCCCCCCC(C)C

Other Databases

PubChem CID
139591513

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 288.44
Topological Polar Surface Area 23.79
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.62
Molar Refractivity 75.76

Admin

Created at
12th May 2021
Updated at
13th May 2021