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CHEBI:214875 - Bafilomycin C1

ChEBI IDCHEBI:214875
ChEBI NameBafilomycin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H60O12
Net Charge0
Average Mass720.897
Monoisotopic Mass720.40848
SMILESCO/C1=C\C(C)=C\C(C)C(O)C(C)C/C(C)=C/C=C/C(OC)C(C(C)C(O)C(C)C2(O)CC(OC(=O)/C=C/C(=O)O)C(C)C(C(C)C)O2)OC1=O
InChIInChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18+,30-19-
InChIKeyWUDBXVQNMOTFEE-FUGNQFJWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(00)88394-x)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin C1 (CHEBI:214875) is a macrolide (CHEBI:25106)
IUPAC Name 
(E)-4-[2-hydroxy-2-[3-hydroxy-4-[(4E,6E,12E,14Z)-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-4-oxobut-2-enoic acid
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