Cystargolide A (CHEBI:201209)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201209 - Cystargolide A

Take structure to advanced search

ChEBI ID	CHEBI:201209
ChEBI Name	Cystargolide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H30N2O6
Net Charge	0
Average Mass	370.446
Monoisotopic Mass	370.21039
SMILES	CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C1OC(=O)C1C(C)C)C(C)C)C(=O)O
InChI	InChI=1S/C18H30N2O6/c1-7-10(6)13(17(23)24)20-15(21)12(9(4)5)19-16(22)14-11(8(2)3)18(25)26-14/h8-14H,7H2,1-6H3,(H,19,22)(H,20,21)(H,23,24)/t10-,11?,12-,13-,14?/m0/s1
InChIKey	LYUCHIIJQVXUQP-NBWCBLLSSA-N

Species of Metabolite	Component	Source	Comments
Kitasatospora cystarginea (ncbitaxon:58350)	-	PubMed (25769015)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cystargolide A (CHEBI:201209) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[(4-oxo-3-propan-2-yloxetane-2-carbonyl)amino]butanoyl]amino]pentanoic acid

Manual Xrefs	Databases
59006007	ChemSpider