Structure Database (LMSD)

Systematic Name
3Z-Pentadecenenitrile
Synonyms
LM ID
LMFA09000020
Formula
C15H27N
Exact Mass
Calculate m/z
221.214349
Status
Curated
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)
YGMQUZOMXCDUDU-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C15H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h12-13H,2-11,14H2,1H3/b13-12-
SMILES (Click to copy)
C(C/C=C\CCCCCCCCCCC)#N

Other Databases

PubChem CID
139591512

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 271.14
Topological Polar Surface Area 23.79
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.38
Molar Refractivity 71.21

Admin

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