CHEBI:206815 - Beauvericin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Beauvericin A
ChEBI ID CHEBI:206815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H59N3O9
Net Charge 0
Average Mass 797.990
Monoisotopic Mass 797.42513
InChI InChI=1S/C46H59N3O9/c1-10-31(6)40-43(52)49(9)36(27-33-22-16-12-17-23-33)45(54)57-38(29(2)3)41(50)47(7)35(26-32-20-14-11-15-21-32)44(53)56-39(30(4)5)42(51)48(8)37(46(55)58-40)28-34-24-18-13-19-25-34/h11-25,29-31,35-40H,10,26-28H2,1-9H3/t31?,35-,36-,37-,38-,39-,40-/m1/s1
InChIKey JQUGYVKOYKGIRB-FDSMQOSNSA-N
SMILES O=C1O[C@@H](C(=O)N([C@@H](C(=O)O[C@@H](C(=O)N([C@@H](C(O[C@@H](C(N([C@@H]1CC2=CC=CC=C2)C)=O)C(C)C)=O)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C)C(CC)C
Metabolite of Species Details
Beauveria bassiana (NCBI:txid176275) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Beauvericin A (CHEBI:206815) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,6R,9R,12R,15R,18R)-3,9,15-tribenzyl-6-butan-2-yl-4,10,16-trimethyl-12,18-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone