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CHEBI:227562 - 21-deoxybafilomycin A1

ChEBI IDCHEBI:227562
ChEBI Name21-deoxybafilomycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O8
Net Charge0
Average Mass606.841
Monoisotopic Mass606.41317
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@@H](O)[C@H](C)[C@@]2(O)CC[C@H](C)[C@@H](C(C)C)O2)OC1=O
InChIInChI=1S/C35H58O8/c1-20(2)32-23(5)15-16-35(39,43-32)27(9)31(37)26(8)33-28(40-10)14-12-13-21(3)17-24(6)30(36)25(7)18-22(4)19-29(41-11)34(38)42-33/h12-14,18-20,23-28,30-33,36-37,39H,15-17H2,1-11H3/b14-12+,21-13+,22-18+,29-19-/t23-,24-,25+,26-,27-,28-,30-,31+,32+,33+,35+/m0/s1
InChIKeyXZEPAUSOMAAQDS-QHSLKWAJSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora albolonga (ncbitaxon:68173) - PubMed (26933756)
ChEBI Ontology
Outgoing Relation(s)
21-deoxybafilomycin A1 (CHEBI:227562) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3R,4S)-3-hydroxy-4-[(2R,5S,6R)-2-hydroxy-5-methyl-6-propan-2-yloxan-2-yl]pentan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
128436222ChemSpider