Melithiazol K (CHEBI:199956)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:199956 - Melithiazol K

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:199956
ChEBI Name	Melithiazol K
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H26N2O5S2
Net Charge	0
Average Mass	438.571
Monoisotopic Mass	438.12831
SMILES	COC(=O)/C=C(/OC)C(C)C(/C=C/c1csc(C2CSC(C3(C)CO3)=N2)n1)OC
InChI	InChI=1S/C20H26N2O5S2/c1-12(16(25-4)8-17(23)26-5)15(24-3)7-6-13-9-28-18(21-13)14-10-29-19(22-14)20(2)11-27-20/h6-9,12,14-15H,10-11H2,1-5H3/b7-6+,16-8+
InChIKey	ZJXYLBWVBXQTFS-QICXOPSUSA-N

Species of Metabolite	Component	Source	Comments
Archangium (ncbitaxon:47)	-	PubMed (10580385)

ChEBI Ontology

Outgoing Relation(s)
	Melithiazol K (CHEBI:199956) is a thiazoles (CHEBI:48901)

IUPAC Name
methyl (2E,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-(2-methyloxiran-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienoate

Manual Xrefs	Databases
8726387	ChemSpider