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CHEBI:210980 - Bafilomycin O

ChEBI IDCHEBI:210980
ChEBI NameBafilomycin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O7
Net Charge0
Average Mass590.842
Monoisotopic Mass590.41825
SMILESCC1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
InChIInChI=1S/C35H58O7/c1-19(2)32-26(9)29(36)18-35(40,42-32)28(11)31(38)27(10)33-22(5)14-12-13-20(3)15-23(6)30(37)24(7)16-21(4)17-25(8)34(39)41-33/h12-14,16-17,19,22-24,26-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,25-17?/t22-,23-,24+,26-,27-,28-,29+,30-,31+,32+,33-,35+/m0/s1
InChIKeyZPISSFSMJHGHQX-CTFKYDNISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/j.tet.2017.07.009)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin O (CHEBI:210980) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(5E,7R,8S,9S,11E,13E,15S,16S)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,5,7,9,11,15-hexamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one