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CHEBI:138851 - 6,8a-seco-6,8a-deoxy-5-oxoavermectin "2a" aglycone

Default Structure
ChEBI IDCHEBI:138851
ChEBI Name6,8a-seco-6,8a-deoxy-5-oxoavermectin "2a" aglycone
Stars
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC34H50O8
Net Charge0
Average Mass586.766
Monoisotopic Mass586.35057
SMILESCCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]4(O)CC(=O)C(C)=C[C@H]4C(=O)O3)O2)C[C@H](O)[C@@H]1C
InChIInChI=1S/C34H50O8/c1-8-19(2)31-24(7)29(36)17-33(42-31)16-26-15-25(41-33)13-12-21(4)30(37)20(3)10-9-11-23(6)34(39)18-28(35)22(5)14-27(34)32(38)40-26/h9-12,14,19-20,24-27,29-31,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12+,23-11+/t19?,20-,24-,25+,26-,27-,29-,30-,31+,33-,34+/m0/s1
InChIKeyQCSFFKFCYQTXGW-ZGLBEODDSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
6,8a-seco-6,8a-deoxy-5-oxoavermectin "2a" aglycone (CHEBI:138851) is a milbemycin (CHEBI:50345)
Manual XrefsDatabases
C11969KEGG COMPOUND