CHEBI:183811 - Moxidectin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Moxidectin
ChEBI ID CHEBI:183811
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H53NO8
Net Charge 0
Average Mass 639.830
Monoisotopic Mass 639.37712
InChI InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1
InChIKey YZBLFMPOMVTDJY-LSGXYNIPSA-N
SMILES O1[C@]2(O[C@@H]([C@H](\C(=N\OC)\C2)C)/C(=C/C(C)C)/C)C[C@]3(OC(=O)[C@]4([C@@]5(O)[C@](OCC5=CC=C[C@@H](CC(=CC[C@@]1(C3)[H])C)C)([C@H](O)C(=C4)C)[H])[H])[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study
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 Moxidectin (CHEBI:183811) is a milbemycin (CHEBI:50345)
IUPAC Name
(1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual Xrefs Databases
22901017 ChemSpider
5286 DrugCentral
D05084 KEGG DRUG
DB11431 KEGG DRUG
View more database links
Registry Number Type Source
113507-06-5 CAS Registry Number ChemIDplus