A-500359 M2 (CHEBI:198843)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198843 - A-500359 M2

Take structure to advanced search

ChEBI ID	CHEBI:198843
ChEBI Name	A-500359 M2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H31N5O12S
Net Charge	0
Average Mass	601.591
Monoisotopic Mass	601.16899
SMILES	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)N[C@@H]3CSC[C@@H](C)NC3=O)=C[C@@H](O)[C@@H]2O)C(N)=O)O[C@@H](n2ccc(=O)nc2=O)[C@@H]1O
InChI	InChI=1S/C23H31N5O12S/c1-8-6-41-7-9(19(34)25-8)26-20(35)11-5-10(29)13(31)22(38-11)40-17(18(24)33)16-15(37-2)14(32)21(39-16)28-4-3-12(30)27-23(28)36/h3-5,8-10,13-17,21-22,29,31-32H,6-7H2,1-2H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t8-,9-,10-,13+,14-,15+,16?,17+,21-,22+/m1/s1
InChIKey	CZGXONQQLSSPKM-JQASJSGKSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces griseus (ncbitaxon:1911)	-	PubMed (12760682)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	A-500359 M2 (CHEBI:198843) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2R,3S,4R)-2-[(1S)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3R,6S)-3-methyl-5-oxo-1,4-thiazepan-6-yl]-3,4-dihydro-2H-pyran-6-carboxamide

Manual Xrefs	Databases
78436413	ChemSpider