EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215238 - 21,22-en-9-hydroxybafilomycin D

ChEBI IDCHEBI:215238
ChEBI Name21,22-en-9-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@H](O)/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)C(=O)C/C=C(\C)[C@H](O)C(C)C)OC1=O
InChIInChI=1S/C35H56O9/c1-19(2)30(37)22(5)15-16-27(36)24(7)33(40)26(9)34-28(42-10)14-12-13-21(4)31(38)25(8)32(39)23(6)17-20(3)18-29(43-11)35(41)44-34/h12-15,17-19,23-26,28,30-34,37-40H,16H2,1-11H3/b14-12+,20-17+,21-13+,22-15+,29-18-/t23-,24-,25+,26+,28+,30-,31-,32-,33+,34-/m1/s1
InChIKeyUFPCKJJATJLHFX-JKGMTNBASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HZP-2216E (ncbitaxon:1742702) - PubMed (28923323)
ChEBI Ontology
Outgoing Relation(s)
21,22-en-9-hydroxybafilomycin D (CHEBI:215238) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3Z,5E,7R,8R,9R,10S,11E,13E,15S,16R)-16-[(E,2S,3R,4S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-7-en-2-yl]-8,10-dihydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
63002643ChemSpider