Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA028580

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA028580
CLUSTER ID	8541
NODE ID	2035
NAME	Autoinducer III
FORMULA	C6H8N2O
MOLECULAR WEIGHT (Da)	124.1430
ACCURATE MASS (Da)	124.0637
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Escherichia
ORIGIN SPECIES	coli
InChIKey	IUNWZLUSFPXBIJ-UHFFFAOYSA-N
InChI	InChI=1S/C6H8N2O/c1-4-3-7-5(2)6(9)8-4/h3H,1-2H3,(H,8,9)
SMILES	CC1=CN=C(C)C(=O)N1

ORIGINAL ISOLATION REFERENCE

CITATION	Kim CS; Gatsios A; Cuesta S; Lam YC; Wei Z; Chen H; Russell RM; Shine EE; Wang R; Wyche TP; Piizzi G; Flavell RA; Palm NW; Sperandio V; Crawford JM Characterization of Autoinducer-3 Structure and Biosynthesis in E. coli. ACS Central Science 2020 6 (2) 197-206.
DOI	10.1021/acscentsci.9b01076	PMID	32123737

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Enterobacterales	LPSN	91347
Family	Enterobacteriaceae	LPSN	543
Genus	Escherichia	LPSN	561

CLASSYFIRE

Show		Hide
DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

Show		Hide
SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

If you encounter an issue on the website, please submit a bug report, feature request, or general issue through the issue tracker on GitHub.

Made with ♥ using Python

DB Version: 2024_09

Website Version: 3.0.2

Creative Commons License

The Natural Products Atlas is licensed under a Creative Commons Attribution-Noncommercial 4.0 International License.

Back to top of page