Structure Database (LMSD)

Systematic Name
Pentadecanenitrile
Synonyms
LM ID
LMFA09000006
Formula
C15H29N
Exact Mass
Calculate m/z
223.229999
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
Pseudomonas veronii (#76761)
Gammaproteobacteria (#1236)
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)
KRKQHNVYOWTEQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC)#N

Other Databases

PubChem CID
87568

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 273.78
Topological Polar Surface Area 23.79
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.60
Molar Refractivity 71.31

Admin

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