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CHEBI:141371 - milbemycin D

Default Structure
ChEBI IDCHEBI:141371
ChEBI Namemilbemycin D
Stars
DefinitionA milbemycin originally isolated from Streptomyces hygroscopicus with formula C33H48O7 that has insecticidal and anthelmintic proerties.
Last Modified17 August 2023
SubmitterR. Stephan
DownloadsMolfile
FormulaC33H48O7
Net Charge0
Average Mass556.740
Monoisotopic Mass556.34000
SMILES[H][C@@]12C/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)O[C@@H](C1)C[C@]1(CC[C@H](C)[C@@H](C(C)C)O1)O2)[C@]34O
InChIInChI=1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
InChIKeyBWCRYQGQPDBOAU-WZBVPYLGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (2211369) Strain: E225
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Applications:
nematicide  A substance used to destroy pests of the phylum Nematoda (roundworms).
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
milbemycin D (CHEBI:141371) has role anthelminthic drug (CHEBI:35443)
milbemycin D (CHEBI:141371) has role insecticide (CHEBI:24852)
milbemycin D (CHEBI:141371) has role nematicide (CHEBI:25491)
milbemycin D (CHEBI:141371) is a milbemycin (CHEBI:50345)
IUPAC Name 
(2aE,4E,5'S,6R,6'R,8E,11R,13R,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-17-one
Synonyms  Source
5-O-demethyl-28-deoxy-6R,28-epoxy-25R-(1-methylethyl)-milbemycin BChEBI
(6R,25R)-5-O-demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin BChemIDplus
antibiotic B 41DChemIDplus
B 41DChemIDplus
Registry NumbersSources
CAS:77855-81-3ChemIDplus
Citations