EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138812 - 5-Oxoavermectin "2b" aglycone

ChEBI IDCHEBI:138812
ChEBI Name5-Oxoavermectin "2b" aglycone
Stars
Last Modified25 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC33H46O9
Net Charge0
Average Mass586.722
Monoisotopic Mass586.31418
SMILES[H][C@@]12OC/C3=C\C=C\[C@H](C)[C@H](O)/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@H](C=C(C)C1=O)[C@]32O
InChIInChI=1S/C33H46O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-27,29-30,34-35,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26-,27-,29+,30+,32-,33+/m0/s1
InChIKeyXPKKFLVMJSAYAI-MEQIXVRQSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
5-Oxoavermectin "2b" aglycone (CHEBI:138812) is a milbemycin (CHEBI:50345)
Manual XrefsDatabases
C11954KEGG COMPOUND