Cystargolide B (CHEBI:215570)

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CHEBI:215570 - Cystargolide B

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ChEBI ID	CHEBI:215570
ChEBI Name	Cystargolide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H28N2O6
Net Charge	0
Average Mass	356.419
Monoisotopic Mass	356.19474
SMILES	CC(C)C1C(=O)OC1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C
InChI	InChI=1S/C17H28N2O6/c1-7(2)10-13(25-17(10)24)15(21)18-11(8(3)4)14(20)19-12(9(5)6)16(22)23/h7-13H,1-6H3,(H,18,21)(H,19,20)(H,22,23)/t10?,11-,12-,13?/m0/s1
InChIKey	PDPYJYDVMZXUKQ-ZFQMDJOTSA-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 B (CHEBI:215570) is a dipeptide (CHEBI:46761)

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

Manual Xrefs	Databases
59006008	ChemSpider