Wbeta2219 (CHEBI:221823)

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CHEBI:221823 - Wbeta2219

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ChEBI ID	CHEBI:221823
ChEBI Name	Wbeta2219
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H42N4O5
Net Charge	0
Average Mass	502.656
Monoisotopic Mass	502.31552
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@@H](C)CC)NC1=O
InChI	InChI=1S/C27H42N4O5/c1-7-15(3)21-25(34)30-22(16(4)8-2)26(35)31-23(17(5)18(6)32)27(36)28-20(24(33)29-21)14-19-12-10-9-11-13-19/h9-13,15-18,20-23,32H,7-8,14H2,1-6H3,(H,28,36)(H,29,33)(H,30,34)(H,31,35)/t15-,16-,17+,18+,20-,21-,22-,23-/m0/s1
InChIKey	PCZVRCIZMAPKOI-HMHHHFJXSA-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)
	Wbeta2219 (CHEBI:221823) is a oligopeptide (CHEBI:25676)

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

Manual Xrefs	Databases
24715886	ChemSpider