CHEBI:231184 - Bafilomycin A1(Baf-A1)

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ChEBI Name Bafilomycin A1(Baf-A1)
ChEBI ID CHEBI:231184
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H58O9
Net Charge 0
Average Mass 622.840
Monoisotopic Mass 622.40808
InChI InChI=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+
InChIKey XDHNQDDQEHDUTM-ZELXAEAPSA-N
SMILES O1C(O)(C(C(O)C(C2OC(=O)C(OC)=CC(=CC(C(O)C(CC(=CC=CC2OC)C)C)C)C)C)C)CC(O)C(C1C(C)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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