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CHEBI:202954 - 29-Hydroxybafilomycin D

ChEBI IDCHEBI:202954
ChEBI Name29-Hydroxybafilomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O9
Net Charge0
Average Mass620.824
Monoisotopic Mass620.39243
SMILESCO/C1=C/C(C)=C\[C@@H](C)[C@H](O)[C@@H](C)C/C(CO)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)C(O)[C@H](C)C(=O)/C=C/[C@H](C)[C@H](O)C(C)C)OC1=O
InChIInChI=1S/C35H56O9/c1-20(2)31(38)22(4)14-15-28(37)25(7)33(40)26(8)34-29(42-9)13-11-12-27(19-36)18-24(6)32(39)23(5)16-21(3)17-30(43-10)35(41)44-34/h11-17,20,22-26,29,31-34,36,38-40H,18-19H2,1-10H3/b13-11-,15-14+,21-16-,27-12+,30-17+/t22-,23+,24-,25+,26-,29-,31+,32-,33?,34+/m0/s1
InChIKeyFFGYDUDLLJGAOQ-MOZDIPJSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21102599)
ChEBI Ontology
Outgoing Relation(s)
29-Hydroxybafilomycin D (CHEBI:202954) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5Z,7R,8R,9S,11E,13Z,15S,16R)-16-[(E,2S,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-11-(hydroxymethyl)-3,15-dimethoxy-5,7,9-trimethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one