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CHEBI:211123 - Bafilomycin I

ChEBI IDCHEBI:211123
ChEBI NameBafilomycin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O7
Net Charge0
Average Mass600.837
Monoisotopic Mass600.40260
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=C(\C)C2=C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O
InChIInChI=1S/C36H56O7/c1-21(2)34-28(9)31(40-11)20-30(42-34)24(5)19-27(8)35-29(39-10)15-13-14-22(3)16-25(6)33(37)26(7)17-23(4)18-32(41-12)36(38)43-35/h13-15,17-21,25-29,31,33-35,37H,16H2,1-12H3/b15-13?,22-14?,23-17?,24-19+,32-18?/t25-,26+,27-,28-,29-,31+,33-,34+,35+/m0/s1
InChIKeyZBAPIHITXYXTNC-STVZPZQUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20028134)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin I (CHEBI:211123) is a macrolide (CHEBI:25106)
IUPAC Name 
(7R,8S,9S,15S,16R)-8-hydroxy-3,15-dimethoxy-16-[(E,2S)-4-[(2R,3S,4S)-4-methoxy-3-methyl-2-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]pent-3-en-2-yl]-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one