Wbeta2222 (CHEBI:226732)

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CHEBI:226732 - Wbeta2222

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ChEBI ID	CHEBI:226732
ChEBI Name	Wbeta2222
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](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)[C@@H](C)O)NC1=O
InChI	InChI=1S/C26H40N4O5/c1-7-15(4)21-25(34)30-22(16(5)17(6)31)26(35)27-19(13-18-11-9-8-10-12-18)23(32)28-20(14(2)3)24(33)29-21/h8-12,14-17,19-22,31H,7,13H2,1-6H3,(H,27,35)(H,28,32)(H,29,33)(H,30,34)/t15-,16+,17+,19-,20-,21-,22-/m0/s1
InChIKey	ZWHILRBVKJAMNY-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)
	Wbeta2222 (CHEBI:226732) is a oligopeptide (CHEBI:25676)

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

Manual Xrefs	Databases
24695824	ChemSpider