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CHEBI:183811 - Moxidectin

ChEBI IDCHEBI:183811
ChEBI NameMoxidectin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H53NO8
Net Charge0
Average Mass639.830
Monoisotopic Mass639.37712
SMILES[H][C@@]12C[C@@]([H])(C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O1)[C@]34O)O[C@@]1(C/C(=N\OC)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1)C2
InChIInChI=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
InChIKeyYZBLFMPOMVTDJY-LSGXYNIPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
22901017ChemSpider
5286DrugCentral
DB11431DrugBank
D05084KEGG DRUG
Registry NumbersSources
CAS:113507-06-5ChemIDplus