Structure Database (LMSD)

N N
Common Name
Albanitrile F
Systematic Name
Hexadeca-6,8,10-triynedinitrile
Synonyms
LM ID
LMFA09000025
Formula
C16H16N2
Exact Mass
Calculate m/z
236.131348
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
NUFBVQIZVSDVFZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H16N2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h7-14H2
SMILES (Click to copy)
N#CCCCCC#CC#CC#CCCCCC#N

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Mycale (#2622847)
Demospongiae (#6042)
Albanitriles A-G: Antiprotozoal Polyacetylene Nitriles from a Mycale Marine Sponge.,
J Nat Prod, 2019
Pubmed ID: 31833368

Other Databases

PubChem CID
171119204

Calculated Physicochemical Properties

Heavy Atoms 18
Rings
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 280.96
Topological Polar Surface Area 47.58
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 3.16
Molar Refractivity 71.49

Admin

Created at
12th May 2022
Updated at
12th May 2022