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CHEBI:220265 - Bafilomicin A2

ChEBI IDCHEBI:220265
ChEBI NameBafilomicin A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O9
Net Charge0
Average Mass636.867
Monoisotopic Mass636.42373
SMILESCO/C1=C\C(C)=C\C(C)C(O)C(C)C/C(C)=C/C=C/C(OC)C(C(C)C(O)C(C)C2(OC)CC(O)C(C)C(C(C)C)O2)OC1=O
InChIInChI=1S/C36H60O9/c1-20(2)33-25(7)28(37)19-36(43-12,45-33)27(9)32(39)26(8)34-29(41-10)15-13-14-21(3)16-23(5)31(38)24(6)17-22(4)18-30(42-11)35(40)44-34/h13-15,17-18,20,23-29,31-34,37-39H,16,19H2,1-12H3/b15-13+,21-14+,22-17+,30-18-
InChIKeyQITFETZTNYARLF-HCTIOJNWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(00)88394-x)
ChEBI Ontology
Outgoing Relation(s)
Bafilomicin A2 (CHEBI:220265) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,11E,13E)-8-hydroxy-16-[3-hydroxy-4-(4-hydroxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl)pentan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
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