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CHEBI:199266 - Beauvenniatin A

ChEBI IDCHEBI:199266
ChEBI NameBeauvenniatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H57N3O9
Net Charge0
Average Mass735.919
Monoisotopic Mass735.40948
SMILESCC(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/C41H57N3O9/c1-24(2)32-41(50)53-34(26(5)6)37(46)43(10)30(22-28-18-14-12-15-19-28)39(48)51-33(25(3)4)36(45)42(9)31(23-29-20-16-13-17-21-29)40(49)52-35(27(7)8)38(47)44(32)11/h12-21,24-27,30-35H,22-23H2,1-11H3/t30-,31-,32-,33+,34+,35+/m0/s1
InChIKeyDUOXILOCBMQICJ-DULUVLRMSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - DOI (10.1016/j.tet.2011.08.041)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Beauvenniatin A (CHEBI:199266) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3,9-dibenzyl-4,10,16-trimethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78436482ChemSpider