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CHEBI:201787 - Ivermectin monosaccharide

ChEBI IDCHEBI:201787
ChEBI NameIvermectin monosaccharide
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FormulaC41H62O11
Net Charge0
Average Mass730.936
Monoisotopic Mass730.42921
SMILESCCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(O)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
InChIInChI=1S/C41H62O11/c1-9-22(2)37-25(5)15-16-40(52-37)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(46-8)35(43)27(7)48-33)23(3)11-10-12-28-21-47-38-34(42)26(6)17-31(39(44)49-30)41(28,38)45/h10-13,17,22-23,25,27,29-38,42-43,45H,9,14-16,18-21H2,1-8H3
InChIKeyIDRWWNAYSYRQBV-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Ivermectin monosaccharide (CHEBI:201787) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
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32817268ChemSpider