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CHEBI:215558 - Bafilomycin C1-amide

ChEBI IDCHEBI:215558
ChEBI NameBafilomycin C1-amide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H61NO11
Net Charge0
Average Mass719.913
Monoisotopic Mass719.42446
SMILESCO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(N)=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
InChIInChI=1S/C39H61NO11/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H2,40,41)/b14-12-,16-15+,22-13-,23-18-,30-19+/t24-,25+,26-,27-,28-,29-,31+,34-,35+,36+,37+,39+/m0/s1
InChIKeyFVEPTFOBWXDHAK-MRMZCBELSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora cheerisanensis (ncbitaxon:81942) - PubMed (14700279)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin C1-amide (CHEBI:215558) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate
Manual XrefsDatabases
78438616ChemSpider