Wbeta2217 (CHEBI:226352)

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CHEBI:226352 - Wbeta2217

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ChEBI ID	CHEBI:226352
ChEBI Name	Wbeta2217
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H38N4O5
Net Charge	0
Average Mass	474.602
Monoisotopic Mass	474.28422
SMILES	CC(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/C25H38N4O5/c1-13(2)19-23(32)28-20(14(3)4)24(33)29-21(15(5)16(6)30)25(34)26-18(22(31)27-19)12-17-10-8-7-9-11-17/h7-11,13-16,18-21,30H,12H2,1-6H3,(H,26,34)(H,27,31)(H,28,32)(H,29,33)/t15-,16-,18+,19+,20+,21+/m1/s1
InChIKey	CXMBFUMTPNXCMT-HDHGSYJOSA-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)
	Wbeta2217 (CHEBI:226352) is a oligopeptide (CHEBI:25676)

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

Manual Xrefs	Databases
24695825	ChemSpider