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CHEBI:216511 - Bafilomycin P

ChEBI IDCHEBI:216511
ChEBI NameBafilomycin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O10
Net Charge0
Average Mass676.888
Monoisotopic Mass676.41865
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@@]23OC[C@@]4(O)CO[C@@H]([C@H](C)[C@H](C(C)C)O2)[C@H]43)OC1=O
InChIInChI=1S/C38H60O10/c1-20(2)32-26(8)34-35-37(42,18-45-34)19-46-38(35,48-32)27(9)31(40)25(7)33-28(43-10)14-12-13-21(3)15-23(5)30(39)24(6)16-22(4)17-29(44-11)36(41)47-33/h12-14,16-17,20,23-28,30-35,39-40,42H,15,18-19H2,1-11H3/b14-12+,21-13+,22-16+,29-17-/t23-,24+,25-,26+,27-,28-,30-,31+,32-,33+,34-,35+,37-,38+/m0/s1
InChIKeyIMLDYMPYWNKTOA-LADIDGKBSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/j.tetlet.2020.151874)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin P (CHEBI:216511) 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-[(1S,4S,7R,9S,10S,11R)-4-hydroxy-10-methyl-9-propan-2-yl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-7-yl]pentan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
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101936363ChemSpider