Structure Database (LMSD)
Common Name
Albanitrile G
Systematic Name
2,17-Dihydroxyoctadeca-6,8,10-triynedinitrile
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Albanitrile G
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
J Nat Prod, 2019
Pubmed ID:
31833368
String Representations
InChiKey (Click to copy)
DYYGFZGSCMLICU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20N2O2/c19-15-17(21)13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(22)16-20/h17-18,21-22H,5,7,9-14H2
SMILES (Click to copy)
N#CC(O)CCCC#CC#CC#CCCCCCC(O)C#N
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
333.14
Topological Polar Surface Area
88.04
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.46
Molar Refractivity
84.53
Admin
Created at
12th May 2022
Updated at
12th May 2022