Structure Database (LMSD)

Systematic Name
13-methyl-3E-tetradecenenitrile
Synonyms
LM ID
LMFA09000014
Formula
C15H27N
Exact Mass
Calculate m/z
221.214349
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
UJSKGYHYIDUPNM-CSKARUKUSA-N
InChi (Click to copy)
InChI=1S/C15H27N/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h8,10,15H,3-7,9,11-13H2,1-2H3/b10-8+
SMILES (Click to copy)
C(C/C=C/CCCCCCCCC(C)C)#N

Other Databases

PubChem CID
139591510

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 271.14
Topological Polar Surface Area 23.79
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.23
Molar Refractivity 71.14

Admin

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