Wbeta2218 (CHEBI:225060)

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CHEBI:225060 - Wbeta2218

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ChEBI ID	CHEBI:225060
ChEBI Name	Wbeta2218
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H42N4O4
Net Charge	0
Average Mass	486.657
Monoisotopic Mass	486.32061
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC1=O
InChI	InChI=1S/C27H42N4O4/c1-7-16(4)21-25(33)28-20(15-19-13-11-10-12-14-19)24(32)29-22(17(5)8-2)26(34)31-23(18(6)9-3)27(35)30-21/h10-14,16-18,20-23H,7-9,15H2,1-6H3,(H,28,33)(H,29,32)(H,30,35)(H,31,34)/t16-,17-,18-,20-,21-,22-,23-/m0/s1
InChIKey	ZRUGSOVQAHAWHC-GSLJADNHSA-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)
	Wbeta2218 (CHEBI:225060) is a oligopeptide (CHEBI:25676)

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

Manual Xrefs	Databases
24714804	ChemSpider