Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA027133

STRUCTURE

Image structure

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA027133
CLUSTER ID	1053
NODE ID	907
NAME	Massiliachelin
FORMULA	C23H34N2O4S2
MOLECULAR WEIGHT (Da)	466.6690
ACCURATE MASS (Da)	466.1960
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Massilia
ORIGIN SPECIES	sp. NR 4-1
InChIKey	QZBCDLLHQSDFIG-NNNWTRQLSA-N
InChI	InChI=1S/C23H34N2O4S2/c1-5-6-7-9-14-10-8-11-17(26)18(14)20-24-15(12-30-20)21-25(4)16(13-31-21)19(27)23(2,3)22(28)29/h8,10-11,15-16,19,21,26-27H,5-7,9,12-13H2,1-4H3,(H,28,29)/t15-,16+,19-,21-/m1/s1
SMILES	CCCCCC1=C(C2=N[C@@H]([C@H]3SC[C@@H]([C@@H](O)C(C)(C)C(=O)O)N3C)CS2)C(O)=CC=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Diettrich, Jan; Kage, Hirokazu; Nett, Markus Genomics-inspired discovery of massiliachelin, an agrochelin epimer from Massilia sp. NR 4-1 Beilstein Journal of Organic Chemistry 2019 15 1298-1303.
DOI	10.3762/bjoc.15.128	PMID	31293678

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Betaproteobacteria	LPSN	28216
Order	Burkholderiales	LPSN	80840
Family	Oxalobacteraceae	LPSN	75682
Genus	Massilia	LPSN	149698

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