Wbeta2221 (CHEBI:220771)

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CHEBI:220771 - Wbeta2221

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ChEBI ID	CHEBI:220771
ChEBI Name	Wbeta2221
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H40N4O5
Net Charge	0
Average Mass	488.629
Monoisotopic Mass	488.29987
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)[C@@H](C)O)NC(=O)[C@H](C(C)C)NC1=O
InChI	InChI=1S/C26H40N4O5/c1-7-15(4)21-25(34)28-20(14(2)3)24(33)30-22(16(5)17(6)31)26(35)27-19(23(32)29-21)13-18-11-9-8-10-12-18/h8-12,14-17,19-22,31H,7,13H2,1-6H3,(H,27,35)(H,28,34)(H,29,32)(H,30,33)/t15-,16+,17+,19-,20-,21-,22-/m0/s1
InChIKey	DIDDMMTUXXHTQR-FELOTHHLSA-N

Species of Metabolite	Component	Source	Comments
Nonomuraea (ncbitaxon:83681)	-	PubMed (19013063)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Wbeta2221 (CHEBI:220771) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6S,9S,12S)-3-benzyl-12-[(2S)-butan-2-yl]-6-[(2S,3R)-3-hydroxybutan-2-yl]-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Manual Xrefs	Databases
24695803	ChemSpider