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CHEBI:198365 - Bafilomycin J

ChEBI IDCHEBI:198365
ChEBI NameBafilomycin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O8
Net Charge0
Average Mass620.868
Monoisotopic Mass620.42882
SMILESCO[C@H]1C=CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)C=C(C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O1
InChIInChI=1S/C36H60O8/c1-20(2)33-26(8)30(42-12)19-36(40,44-33)28(10)32(38)27(9)34-29(41-11)15-13-14-21(3)16-23(5)31(37)24(6)17-22(4)18-25(7)35(39)43-34/h13-15,17-18,20,23-24,26-34,37-38,40H,16,19H2,1-12H3/t23-,24+,26-,27-,28-,29-,30+,31-,32+,33+,34+,36+/m0/s1
InChIKeyPHNJREQYDLKYEB-PBJZSJAHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20028134)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin J (CHEBI:198365) is a macrolide (CHEBI:25106)
IUPAC Name 
(7R,8S,9S,15S,16R)-8-hydroxy-16-[(2S,3R,4S)-3-hydroxy-4-[(2R,4R,5S,6R)-2-hydroxy-4-methoxy-5-methyl-6-propan-2-yloxan-2-yl]pentan-2-yl]-15-methoxy-3,5,7,9,11-pentamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one