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CHEBI:215247 - 21,22-en-bafilomycin D

ChEBI IDCHEBI:215247
ChEBI Name21,22-en-bafilomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O8
Net Charge0
Average Mass604.825
Monoisotopic Mass604.39752
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(=O)C/C=C(\C)[C@H](O)C(C)C)OC1=O
InChIInChI=1S/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-15,18-20,24-27,29,31-34,37-39H,16-17H2,1-11H3/b14-12+,21-13+,22-18+,23-15+,30-19-/t24-,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
InChIKeyZLCDIUCIPCGUAD-ZYNNNTLMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HZP-2216E (ncbitaxon:1742702) - PubMed (28923323)
ChEBI Ontology
Outgoing Relation(s)
21,22-en-bafilomycin D (CHEBI:215247) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(E,2S,3R,4S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-7-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
63002642ChemSpider