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CHEBI:222743 - Beauvenniatin B

ChEBI IDCHEBI:222743
ChEBI NameBeauvenniatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57N3O9
Net Charge0
Average Mass687.875
Monoisotopic Mass687.40948
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](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C
InChIInChI=1S/C37H57N3O9/c1-20(2)27-36(45)48-29(22(5)6)32(41)38(11)26(19-25-17-15-14-16-18-25)35(44)47-30(23(7)8)33(42)39(12)28(21(3)4)37(46)49-31(24(9)10)34(43)40(27)13/h14-18,20-24,26-31H,19H2,1-13H3/t26-,27-,28-,29+,30+,31+/m0/s1
InChIKeyHDFNBENXFQJWEM-JYMVZIKVSA-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 B (CHEBI:222743) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3-benzyl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78438250ChemSpider