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CHEBI:204726 - Beauvericin C

ChEBI IDCHEBI:204726
ChEBI NameBeauvericin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H63N3O9
Net Charge0
Average Mass826.044
Monoisotopic Mass825.45643
SMILESCC[C@H](C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C48H63N3O9/c1-10-31(4)40-43(52)49(7)38(29-35-24-18-14-19-25-35)47(56)59-42(33(6)12-3)45(54)51(9)39(30-36-26-20-15-21-27-36)48(57)60-41(32(5)11-2)44(53)50(8)37(46(55)58-40)28-34-22-16-13-17-23-34/h13-27,31-33,37-42H,10-12,28-30H2,1-9H3/t31-,32-,33-,37-,38-,39-,40+,41+,42+/m0/s1
InChIKeySUYIKDSCLNTKHW-AABATXNOSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - DOI (10.1016/s0040-4020(02)00294-6)
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 C (CHEBI:204726) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-tris[(2S)-butan-2-yl]-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78437187ChemSpider