spinosyn A (CHEBI:9230)

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CHEBI:9230 - spinosyn A

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ChEBI ID	CHEBI:9230
ChEBI Name	spinosyn A
Stars
Definition	A spinosyn in which the sugar amino and hydroxy groups are globally methylated. One of the two active ingredients of spinosad.
Last Modified	15 November 2012
Downloads	Molfile

Formula	C41H65NO10
Net Charge	0
Average Mass	731.968
Monoisotopic Mass	731.46085
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@]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]
InChI	InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1
InChIKey	SRJQTHAZUNRMPR-UYQKXTDMSA-N

Wikipedia

Roles Classification

Biological Roles:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. antibiotic insecticide 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. antibiotic insecticide

ChEBI Ontology

Outgoing Relation(s)
	spinosyn A (CHEBI:9230) has role pediculicide (CHEBI:38706)
	spinosyn A (CHEBI:9230) is a spinosyn (CHEBI:39207)
	spinosyn A (CHEBI:9230) is a spinosyn insecticide (CHEBI:39210)
Incoming Relation(s)
	spinosad (CHEBI:39211) has part spinosyn A (CHEBI:9230)

IUPAC Name
(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9-ethyl-14-methyl-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 A	KEGG COMPOUND
A 83543A	ChemIDplus
lepicidin A	ChemIDplus
Spinosad factor A	KEGG COMPOUND

Manual Xrefs	Databases
C11054	KEGG COMPOUND
WO2006127322	Patent
WO2004095926	Patent
CPD-13385	MetaCyc
Spinosad	Wikipedia

Registry Numbers	Sources
Reaxys:6838034	Reaxys
CAS:131929-60-7	KEGG COMPOUND
CAS:131929-60-7	ChemIDplus

Citations