Structure Database (LMSD)
Common Name
Maracin A
Systematic Name
5-[tetradeca-5E,8E,11Z,13-tetraen-1-ynoxy]-pent-4E-enoic acid
Synonyms
3D model of Maracin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
HNCZZAFOQUEHGF-APDSTEBESA-N
InChi (Click to copy)
InChI=1S/C19H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22-18-15-13-16-19(20)21/h2-4,6-7,9-10,15,18H,1,5,8,11-13,16H2,(H,20,21)/b4-3-,7-6+,10-9+,18-15+
SMILES (Click to copy)
C(CC/C=C/OC#CCC/C=C/C/C=C/C/C=C\C=C)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sorangium cellulosum
(#56)
Deltaproteobacteria
(#28221)
Maracin and Maracen: New Types of Ethynyl Vinyl Ether and α-Chloro Divinyl Ether Antibiotics from Sorangium cellulosum with Specific Activity Against Mycobacteria.,
Angew Chem Int Ed Engl, 1998
Angew Chem Int Ed Engl, 1998
Pubmed ID:
29711239
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
Aromatic Rings
Rotatable Bonds
11
Van der Waals Molecular Volume
342.51
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.76
Molar Refractivity
90.96
Admin
Created at
21st Jul 2021
Updated at
21st Jul 2021