Beauvericin D (CHEBI:217485)

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CHEBI:217485 - Beauvericin D

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ChEBI ID	CHEBI:217485
ChEBI Name	Beauvericin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C44H55N3O9
Net Charge	0
Average Mass	769.936
Monoisotopic Mass	769.39383
SMILES	CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)NC1=O
InChI	InChI=1S/C44H55N3O9/c1-27(2)36-39(48)45-33(24-30-18-12-9-13-19-30)42(51)55-37(28(3)4)40(49)47(8)35(26-32-22-16-11-17-23-32)44(53)56-38(29(5)6)41(50)46(7)34(43(52)54-36)25-31-20-14-10-15-21-31/h9-23,27-29,33-38H,24-26H2,1-8H3,(H,45,48)/t33-,34-,35-,36+,37+,38+/m0/s1
InChIKey	CPKHOIZGUQVKAF-YAQJXRFXSA-N

Species of Metabolite	Component	Source	Comments
Beauveria (ncbitaxon:5581)	-	PubMed (15112959)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Beauvericin D (CHEBI:217485) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10-dimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
2277522	ChemSpider