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CHEBI:221777 - Bafilomycin F

ChEBI IDCHEBI:221777
ChEBI NameBafilomycin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H65NO13S
Net Charge0
Average Mass824.043
Monoisotopic Mass823.41766
SMILESCOC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=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@@H]3SC[C@@H](C(=O)O)NC3=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
InChIInChI=1S/C42H65NO13S/c1-21(2)37-26(7)32(54-34(44)18-33-39(47)43-29(20-57-33)40(48)49)19-42(51,56-37)28(9)36(46)27(8)38-30(52-10)14-12-13-22(3)15-24(5)35(45)25(6)16-23(4)17-31(53-11)41(50)55-38/h12-14,16-17,21,24-30,32-33,35-38,45-46,51H,15,18-20H2,1-11H3,(H,43,47)(H,48,49)/t24-,25+,26-,27-,28-,29-,30-,32+,33-,35-,36+,37+,38+,42+/m0/s1
InChIKeyQUPRHGPFIADXHP-WUOZHUFPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20028134)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin F (CHEBI:221777) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,6S)-6-[2-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,9S,10S,11R)-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]oxy-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid