Structure Database (LMSD)
Common Name
Collimonin A
Systematic Name
6S,7S-epoxy-5R,8R-dihydroxy-9Z-hexadeca-11,13,15-triyn-4S-olide
Synonyms
LM ID
LMFA07040148
Formula
Exact Mass
Calculate m/z
286.084125
Sum Composition
Status
Active
3D model of Collimonin A
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)
WXWUUBHVPFQANA-HVBFKWMQSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-2-3-4-5-6-7-8-11(17)15-16(21-15)14(19)12-9-10-13(18)20-12/h1,7-8,11-12,14-17,19H,9-10H2/b8-7-/t11-,12+,14-,15+,16+/m1/s1
SMILES (Click to copy)
[C@@H]1(OC(=O)CC1)[C@@H](O)[C@@H]1O[C@H]1[C@H](O)/C=C\C#CC#CC#C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Collimonas fungivorans Ter331
(#1005048)
Betaproteobacteria
(#28216)
Collimonins A-D, Unstable Polyynes with Antifungal or Pigmentation Activities from the Fungus-Feeding Bacterium Collimonas fungivorans Ter331.,
Org Lett, 2018
Org Lett, 2018
Pubmed ID:
29792438
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
2
Aromatic Rings
Rotatable Bonds
4
Van der Waals Molecular Volume
283.47
Topological Polar Surface Area
81.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
0.81
Molar Refractivity
75.87
Admin
Created at
28th May 2021
Updated at
28th May 2021