Beauveriolide IV (CHEBI:202345)

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CHEBI:202345 - Beauveriolide IV

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ChEBI ID	CHEBI:202345
ChEBI Name	Beauveriolide IV
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H39N3O5
Net Charge	0
Average Mass	425.570
Monoisotopic Mass	425.28897
SMILES	CCCCC(C)C1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O1
InChI	InChI=1S/C22H39N3O5/c1-8-9-10-14(6)16-11-17(26)24-18(12(2)3)21(28)23-15(7)20(27)25-19(13(4)5)22(29)30-16/h12-16,18-19H,8-11H2,1-7H3,(H,23,28)(H,24,26)(H,25,27)/t14?,15-,16?,18-,19+/m0/s1
InChIKey	YVEIVEAWQYFHFP-KRELLBQZSA-N

Species of Metabolite	Component	Source	Comments
Beauveria (ncbitaxon:5581)	-	PubMed (15032479)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Beauveriolide IV (CHEBI:202345) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,6S,9S)-13-hexan-2-yl-6-methyl-3,9-di(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

Manual Xrefs	Databases
8378156	ChemSpider