CHEBI:39228 - milbemycin A₃

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ChEBI Name milbemycin A3 ChEBI ID CHEBI:39228 ChEBI ASCII Name milbemycin A3 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H44O7 Net Charge 0 Average Mass 528.67686 Monoisotopic Mass 528.30870 InChI InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1 InChIKey ZLBGSRMUSVULIE-GSMJGMFJSA-N 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)O1)O2)[C@]34O 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 milbemycin A3 (CHEBI:39228) is a milbemycin (CHEBI:50345) Incoming milbemectin (CHEBI:39225) has part milbemycin A3 (CHEBI:39228) IUPAC Name (2aE,4E,5'S,6R,6'R,8E,11R,13R,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,6',8,19-pentamethyl-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 Synonym Source milbemycin A3 ChemIDplus Manual Xrefs Databases 903 BPDB C18557 KEGG COMPOUND View more database links Registry Numbers Types Sources 4282089 Beilstein Registry Number Beilstein 51596-10-2 CAS Registry Number KEGG COMPOUND 51596-10-2 CAS Registry Number ChemIDplus Last Modified 28 July 2014