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CHEBI:227557 - 19-methoxybafilomycin C1 amide

ChEBI IDCHEBI:227557
ChEBI Name19-methoxybafilomycin C1 amide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H63NO11
Net Charge0
Average Mass733.940
Monoisotopic Mass733.44011
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(OC)C[C@@H](OC(=O)/C=C/C(N)=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
InChIInChI=1S/C40H63NO11/c1-22(2)37-27(7)32(50-34(43)17-16-33(41)42)21-40(49-12,52-37)29(9)36(45)28(8)38-30(47-10)15-13-14-23(3)18-25(5)35(44)26(6)19-24(4)20-31(48-11)39(46)51-38/h13-17,19-20,22,25-30,32,35-38,44-45H,18,21H2,1-12H3,(H2,41,42)/b15-13+,17-16+,23-14+,24-19+,31-20-/t25-,26+,27-,28-,29-,30-,32+,35-,36+,37+,38+,40+/m0/s1
InChIKeyQALDSNALLKBQDG-WKYBDUKLSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora albolonga (ncbitaxon:68173) - PubMed (26933756)
ChEBI Ontology
Outgoing Relation(s)
19-methoxybafilomycin C1 amide (CHEBI:227557) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4R,5S,6R)-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate
Manual XrefsDatabases
128436947ChemSpider