CHEBI:221777 - Bafilomycin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bafilomycin F
ChEBI ID CHEBI:221777
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H65NO13S
Net Charge 0
Average Mass 824.040
Monoisotopic Mass 823.41766
InChI InChI=1S/C42H65NO13S/c1-21(2)37-26(7)32(54-34(44)18-33-39(47)43-29(20-57-33)40(48)49)19-42(51,56-37)28(9)36(46)27(8)38-30(52-10)14-12-13-22(3)15-24(5)35(45)25(6)16-23(4)17-31(53-11)41(50)55-38/h12-14,16-17,21,24-30,32-33,35-38,45-46,51H,15,18-20H2,1-11H3,(H,43,47)(H,48,49)/t24-,25+,26-,27-,28-,29-,30-,32+,33-,35-,36+,37+,38+,42+/m0/s1
InChIKey QUPRHGPFIADXHP-WUOZHUFPSA-N
SMILES S1[C@H](C(=O)N[C@@H](C1)C(=O)O)CC(=O)O[C@H]2[C@@H]([C@H](O[C@@](C2)(O)[C@H]([C@H](O)[C@@H]([C@H]3OC(=O)C(OC)=CC(=C[C@H]([C@@H](O)[C@H](CC(=CC=C[C@@H]3OC)C)C)C)C)C)C)C(C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Bafilomycin F (CHEBI:221777) is a macrolide (CHEBI:25106)
IUPAC Name
(3R,6S)-6-[2-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,9S,10S,11R)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid