Structure Database (LMSD)
Common Name
Protegenin C
Systematic Name
9E,17-octadecadien-11,13,15-triynoic acid
Synonyms
3D model of Protegenin C
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JZNHVJHVMNXPLD-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,9-10H,1,11-17H2,(H,19,20)/b10-9+
SMILES (Click to copy)
C(CCCCCCC/C=C/C#CC#CC#CC=C)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pseudomonas protegens Cab57
(#1420599)
Gammaproteobacteria
(#1236)
Genome Mining Discovery of Protegenins A-D, Bacterial Polyynes Involved in the Antioomycete and Biocontrol Activities of Pseudomonas protegens.,
ACS Chem Biol, 2021
ACS Chem Biol, 2021
Pubmed ID:
34015911
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
313.78
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.55
Molar Refractivity
82.62
Reactions
Filter by species:
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Admin
Created at
28th May 2021
Updated at
25th Apr 2022