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CHEBI:199416 - Bafilomycin B1

ChEBI IDCHEBI:199416
ChEBI NameBafilomycin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H65NO13
Net Charge0
Average Mass815.998
Monoisotopic Mass815.44559
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(O)CC(OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)C(C)C(C(C)C)O2)OC1=O
InChIInChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12+,18-17+,24-13+,25-20+,34-21-
InChIKeyKFUFLYSBMNNJTF-UNPKUBMASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(00)88394-x)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin B1 (CHEBI:199416) is a macrolide (CHEBI:25106)
IUPAC Name 
[2-hydroxy-2-[3-hydroxy-4-[(4E,6E,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]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate