EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213040 - Beauvericin K

ChEBI IDCHEBI:213040
ChEBI NameBeauvericin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H59N3O9
Net Charge0
Average Mass749.946
Monoisotopic Mass749.42513
SMILESCC(C)C[C@@H]1C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)O[C@@H](C(C)C)C(=O)N1C
InChIInChI=1S/C42H59N3O9/c1-25(2)22-31-40(49)52-35(27(5)6)38(47)44(10)33(24-30-20-16-13-17-21-30)42(51)54-36(28(7)8)39(48)45(11)32(23-29-18-14-12-15-19-29)41(50)53-34(26(3)4)37(46)43(31)9/h12-21,25-28,31-36H,22-24H2,1-11H3/t31-,32-,33-,34+,35+,36+/m1/s1
InChIKeyVMWJARAMMKGYIN-KKNHVHQESA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1177/1934578x1601101213)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Beauvericin K (CHEBI:213040) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6S,9R,12S,15R,18S)-3,9-dibenzyl-4,10,16-trimethyl-15-(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
60596838ChemSpider