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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6,8a-seco-6,8a-deoxy-5-oxoavermectin "2a" aglycone
ChEBI ID CHEBI:138851
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H50O8
Net Charge 0
Average Mass 586.757
Monoisotopic Mass 586.35057
InChI InChI=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
InChIKey QCSFFKFCYQTXGW-ZGLBEODDSA-N
SMILES [C@]12(C[C@@H]([C@H](C)[C@@H](C(C)CC)O1)O)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C([C@]4([C@H](C(=O)O3)C=C(C(C4)=O)C)O)C)C)O)C
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via milbemycin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6,8a-seco-6,8a-deoxy-5-oxoavermectin "2a" aglycone (CHEBI:138851) is a milbemycin (CHEBI:50345)
Manual Xref Database
C11969 KEGG COMPOUND
View more database links
Last Modified
26 October 2017