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CHEBI:9232 - spinosyn D

ChEBI IDCHEBI:9232
ChEBI Namespinosyn D
Stars
DefinitionA spinosyn in which the sugar amino and hydroxy groups are globally methylated with an additional methyl substituent attached to the tetracyclic skeleton. One of the two active ingredients of spinosad.
Last Modified15 November 2012
DownloadsMolfile
FormulaC42H67NO10
Net Charge0
Average Mass745.995
Monoisotopic Mass745.47650
SMILES[H][C@@]12C=C3C(=O)[C@H](C)[C@@H](O[C@H]4CC[C@H](N(C)C)[C@@H](C)O4)CCC[C@H](CC)OC(=O)C[C@@]3([H])[C@]1([H])C=C(C)[C@]1([H])C[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]3OC)C[C@@]21[H]
InChIInChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
InChIKeyRDECBWLKMPEKPM-PSCJHHPTSA-N
Wikipedia
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:
pediculicide  Substance used to treat lice (genus Pediculus) infestation.
ChEBI Ontology
Outgoing Relation(s)
spinosyn D (CHEBI:9232) has role pediculicide (CHEBI:38706)
spinosyn D (CHEBI:9232) is a spinosyn (CHEBI:39207)
spinosyn D (CHEBI:9232) is a spinosyn insecticide (CHEBI:39210)
Incoming Relation(s)
spinosad (CHEBI:39211) has part spinosyn D (CHEBI:9232)
IUPAC Name 
(2S,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranoside
Synonyms  Source
Spinosyn DKEGG COMPOUND
A 83543DChemIDplus
Spinosad factor DChemIDplus
Manual XrefsDatabases
C11056KEGG COMPOUND
WO2006127322Patent
EP1380209Patent
US2010298137Patent
EP1252820Patent
US2003087838Patent
US2003026822Patent
US6727228Patent
US7030095Patent
US2004048813Patent
US2004109883Patent
SpinosadWikipedia
Registry NumbersSources
Reaxys:8181763Reaxys
CAS:131929-63-0KEGG COMPOUND
CAS:131929-63-0ChemIDplus
Citations