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CHEBI:216515 - Bafilomycin Q

ChEBI IDCHEBI:216515
ChEBI NameBafilomycin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O9
Net Charge0
Average Mass658.873
Monoisotopic Mass658.40808
SMILESCO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)/C=C(\C)[C@@]23OC[C@@]4(O)CO[C@@H]([C@H](C)[C@H](C(C)C)O2)[C@H]43)OC1=O
InChIInChI=1S/C38H58O9/c1-21(2)32-28(9)34-35-37(41,19-44-34)20-45-38(35,47-32)27(8)18-26(7)33-29(42-10)14-12-13-22(3)15-24(5)31(39)25(6)16-23(4)17-30(43-11)36(40)46-33/h12-14,16-18,21,24-26,28-29,31-35,39,41H,15,19-20H2,1-11H3/b14-12+,22-13+,23-16+,27-18+,30-17-/t24-,25+,26-,28+,29-,31-,32-,33+,34-,35+,37-,38+/m0/s1
InChIKeyOLNJMGLROKCXMM-GMBHNQNMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/j.tetlet.2020.151874)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin Q (CHEBI:216515) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-hydroxy-16-[(E,2S)-4-[(1S,4S,7S,9S,10S,11R)-4-hydroxy-10-methyl-9-propan-2-yl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-7-yl]pent-3-en-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
101936364ChemSpider