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beauvericin (CHEBI:3000)

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ChEBI Name beauvericin
ChEBI ID CHEBI:3000
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C45H57N3O9 KEGG COMPOUND
Net Charge 0
Average Mass 783.94890
InChI
InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1
InChIKey
GYSCAQFHASJXRS-FFCOJMSVSA-N
SMILES
CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C)C(C)C
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing beauvericin (CHEBI:3000) has role mycotoxin (CHEBI:25442)
beauvericin (CHEBI:3000) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Synonyms Sources
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC
Beauvericin KEGG COMPOUND
Database Links Databases
C00027924 KNApSAcK
C11590 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
26048-05-5 CAS Registry Number ChemIDplus
5223711 Beilstein Registry Number Beilstein
Last Modified
04 août 2014

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