[Phe3,N-MeVal5]-Destruxin B (CHEBI:201281)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201281 - [Phe3,N-MeVal5]-Destruxin B

Take structure to advanced search

ChEBI ID	CHEBI:201281
ChEBI Name	[Phe3,N-MeVal5]-Destruxin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H53N5O7
Net Charge	0
Average Mass	655.837
Monoisotopic Mass	655.39450
SMILES	CC(C)CC1OC(=O)CCNC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C1=O
InChI	InChI=1S/C35H53N5O7/c1-21(2)19-27-34(45)40-18-12-15-26(40)31(42)37-25(20-24-13-10-9-11-14-24)33(44)39(8)30(23(5)6)35(46)38(7)29(22(3)4)32(43)36-17-16-28(41)47-27/h9-11,13-14,21-23,25-27,29-30H,12,15-20H2,1-8H3,(H,36,43)(H,37,42)
InChIKey	RTZWJENDDHDLIV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Beauveria felina (ncbitaxon:37994)	-	PubMed (12195967)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	[Phe3,N-MeVal5]-Destruxin B (CHEBI:201281) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
16-benzyl-11,14-dimethyl-3-(2-methylpropyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Manual Xrefs	Databases
78444484	ChemSpider