JBIR-126 (CHEBI:220353)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220353 - JBIR-126

Take structure to advanced search

ChEBI ID	CHEBI:220353
ChEBI Name	JBIR-126
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H30ClN5O7
Net Charge	0
Average Mass	535.985
Monoisotopic Mass	535.18338
SMILES	Cn1cc(C2=N[C@](C)(C(=O)N[C@H](C(=O)NC(C)(CO)C(=O)O)[C@H]3CCCN3)CO2)c2c(O)cc(Cl)cc21
InChI	InChI=1S/C24H30ClN5O7/c1-23(10-31,22(35)36)28-19(33)18(14-5-4-6-26-14)27-21(34)24(2)11-37-20(29-24)13-9-30(3)15-7-12(25)8-16(32)17(13)15/h7-9,14,18,26,31-32H,4-6,10-11H2,1-3H3,(H,27,34)(H,28,33)(H,35,36)/t14-,18+,23?,24+/m1/s1
InChIKey	DNRWOARHBKGXQM-NMKZSIDYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1016/j.tetlet.2015.07.080)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	JBIR-126 (CHEBI:220353) is a peptide (CHEBI:16670)

IUPAC Name
2-[[(2S)-2-[[(4S)-2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-2-[(2R)-pyrrolidin-2-yl]acetyl]amino]-3-hydroxy-2-methylpropanoic acid

Manual Xrefs	Databases
78441935	ChemSpider