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CHEBI:225145 - 24-Demethyl-bafilomycin A2

ChEBI IDCHEBI:225145
ChEBI Name24-Demethyl-bafilomycin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O9
Net Charge0
Average Mass622.840
Monoisotopic Mass622.40808
SMILESCC[C@H]1O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)C[C@@H](O)[C@@H]1C
InChIInChI=1S/C35H58O9/c1-12-28-24(6)27(36)19-35(42-11,44-28)26(8)32(38)25(7)33-29(40-9)15-13-14-20(2)16-22(4)31(37)23(5)17-21(3)18-30(41-10)34(39)43-33/h13-15,17-18,22-29,31-33,36-38H,12,16,19H2,1-11H3/b15-13-,20-14-,21-17-,30-18+/t22-,23+,24-,25-,26-,27+,28+,29-,31-,32+,33+,35+/m0/s1
InChIKeyMGJAFGPYKTZIPD-PBBDGCSSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CS (ncbitaxon:876169) - PubMed (15580961)
ChEBI Ontology
Outgoing Relation(s)
24-Demethyl-bafilomycin A2 (CHEBI:225145) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-6-ethyl-4-hydroxy-2-methoxy-5-methyloxan-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
Manual XrefsDatabases
78437767ChemSpider