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CHEBI:219568 - Beauvenniatin F

ChEBI IDCHEBI:219568
ChEBI NameBeauvenniatin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H63N3O9
Net Charge0
Average Mass729.956
Monoisotopic Mass729.45643
SMILESCC[C@H](C)[C@H]1OC(=O)[C@H](C(C)C)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](C(C)C)N(C)C1=O
InChIInChI=1S/C40H63N3O9/c1-14-25(8)32-35(44)41(11)29(22-28-20-18-17-19-21-28)38(47)50-33(26(9)15-2)36(45)42(12)31(24(6)7)40(49)52-34(27(10)16-3)37(46)43(13)30(23(4)5)39(48)51-32/h17-21,23-27,29-34H,14-16,22H2,1-13H3/t25-,26-,27-,29-,30-,31-,32+,33+,34+/m0/s1
InChIKeyIDKHVAXRADBCAM-YJNNGBFRSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - DOI (10.1002/hlca.201100482)
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 F (CHEBI:219568) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3-benzyl-6,12,18-tris[(2S)-butan-2-yl]-4,10,16-trimethyl-9,15-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78438186ChemSpider