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CHEBI:231184 - Bafilomycin A1(Baf-A1)

ChEBI IDCHEBI:231184
ChEBI NameBafilomycin A1(Baf-A1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O9
Net Charge0
Average Mass622.840
Monoisotopic Mass622.40808
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(O)C(C)C(C(C)C)O2)OC1=O
InChIInChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17+
InChIKeyXDHNQDDQEHDUTM-ZELXAEAPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin A1(Baf-A1) (CHEBI:231184) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,11E,13Z)-16-[4-(2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one